UCSF

ZINC14951176

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 25 Yes

Popular Name: SB202190 SB202190

Find On: PubMed — Wikipedia — Google

CAS Numbers: 152121-30-7 , 350228-36-3 , [152121-30-7]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.59 8.78 -41.1 2 4 0 62 331.35 2 ↓
Mid Mid (pH 6-8) 3.59 9.26 -92.55 3 4 1 63 332.358 2 ↓
Mid Mid (pH 6-8) 3.78 7.25 -9.85 2 4 0 62 331.35 3 ↓
Mid Mid (pH 6-8) 3.78 7.8 -36.53 3 4 1 63 332.358 3 ↓
Mid Mid (pH 6-8) 3.78 7.79 -36.34 3 4 1 63 332.358 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1995002591A1; WO1995003297A1; WO1995007922A1; WO1995013067A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACV1B-1-E Activin Receptor Type-1B (cluster #1 Of 1), Eukaryotic Eukaryotes 950 0.34 Binding ≤ 10μM
ADCK4-1-E Uncharacterized AarF Domain-containing Protein Kinase 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 4900 0.30 Binding ≤ 10μM
AVR2B-1-E Activin Receptor Type-2B (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.30 Binding ≤ 10μM
BRAF-1-E Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic Eukaryotes 620 0.35 Binding ≤ 10μM
CTRO-1-E Citron Rho-interacting Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 510 0.35 Binding ≤ 10μM
DDR1-1-E Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 0.33 Binding ≤ 10μM
DDR2-1-E Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1600 0.32 Binding ≤ 10μM
EGFR-1-E Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic Eukaryotes 910 0.34 Binding ≤ 10μM
EPHA6-1-E Ephrin Type-A Receptor 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 2200 0.32 Binding ≤ 10μM
FRK-1-E Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.29 Binding ≤ 10μM
GAK-1-E Serine/threonine-protein Kinase GAK (cluster #1 Of 2), Eukaryotic Eukaryotes 650 0.35 Binding ≤ 10μM
GSK3B-1-E Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic Eukaryotes 2700 0.31 Binding ≤ 10μM
KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 1700 0.32 Binding ≤ 10μM
KAPCB-1-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 530 0.35 Binding ≤ 10μM
KC1AL-1-E Casein Kinase I Isoform Alpha-like (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.32 Binding ≤ 10μM
KC1D-1-E Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 59 0.40 Binding ≤ 10μM
KC1E-1-E Casein Kinase I Epsilon (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.36 Binding ≤ 10μM
KS6A1-1-E Ribosomal Protein S6 Kinase Alpha 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 170 0.38 Binding ≤ 10μM
KS6A6-1-E Ribosomal Protein S6 Kinase Alpha 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.37 Binding ≤ 10μM
LATS2-1-E Serine/threonine-protein Kinase LATS2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1700 0.32 Binding ≤ 10μM
MK08-1-E Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic Eukaryotes 3100 0.31 Binding ≤ 10μM
MK09-1-E C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic Eukaryotes 210 0.37 Binding ≤ 10μM
MK10-2-E C-Jun N-terminal Kinase 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 51 0.41 Binding ≤ 10μM
MK11-1-E MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.40 Binding ≤ 10μM
MK12-1-E MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 9400 0.28 Binding ≤ 10μM
MK13-1-E MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.40 Binding ≤ 10μM
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 10 0.45 Binding ≤ 10μM
MP2K2-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9600 0.28 Binding ≤ 10μM
MRCKB-1-E Serine/threonine-protein Kinase MRCK Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 4200 0.30 Binding ≤ 10μM
MRCKG-1-E Serine/threonine-protein Kinase MRCK Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 640 0.35 Binding ≤ 10μM
NLK-1-E Serine/threonine Protein Kinase NLK (cluster #1 Of 1), Eukaryotic Eukaryotes 28 0.42 Binding ≤ 10μM
PTK6-1-E Tyrosine-protein Kinase BRK (cluster #1 Of 1), Eukaryotic Eukaryotes 6800 0.29 Binding ≤ 10μM
RAF1-1-E Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.32 Binding ≤ 10μM
RIPK2-1-E Serine/threonine-protein Kinase RIPK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 350 0.36 Binding ≤ 10μM
SLK-1-E Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 3200 0.31 Binding ≤ 10μM
ST32B-1-E Serine/threonine-protein Kinase 32B (cluster #1 Of 1), Eukaryotic Eukaryotes 4900 0.30 Binding ≤ 10μM
STK36-1-E Serine/threonine-protein Kinase 36 (cluster #1 Of 1), Eukaryotic Eukaryotes 790 0.34 Binding ≤ 10μM
TBA1A-1-E Tubulin Alpha-3 Chain (cluster #1 Of 3), Eukaryotic Eukaryotes 4900 0.30 Binding ≤ 10μM
TNIK-1-E TRAF2- And NCK-interacting Kinase (cluster #1 Of 2), Eukaryotic Eukaryotes 1600 0.32 Binding ≤ 10μM
TTK-1-E Dual Specificity Protein Kinase TTK (cluster #1 Of 2), Eukaryotic Eukaryotes 4500 0.30 Binding ≤ 10μM
LOX5-1-E Arachidonate 5-lipoxygenase (cluster #1 Of 7), Eukaryotic Eukaryotes 50 0.41 Functional ≤ 10μM
Z100081-1-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other Other 50 0.41 Functional ≤ 10μM
Z102116-1-O Toxoplasma Gondii RH (cluster #1 Of 2), Other Other 5000 0.30 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 6310 0.29 Functional ≤ 10μM
Z50472-1-O Toxoplasma Gondii (cluster #1 Of 4), Other Other 1000 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACV1B_HUMAN P36896 Activin Receptor Type-1B, Human 950 0.34 Binding ≤ 1μM
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 120 0.39 Binding ≤ 1μM
MK10_HUMAN P53779 C-Jun N-terminal Kinase 3, Human 42 0.41 Binding ≤ 1μM
KAPCB_HUMAN P22694 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human 530 0.35 Binding ≤ 1μM
KC1D_HUMAN P48730 Casein Kinase I Delta, Human 59 0.40 Binding ≤ 1μM
KC1E_HUMAN P49674 Casein Kinase I Epsilon, Human 170 0.38 Binding ≤ 1μM
CTRO_HUMAN O14578 Citron Rho-interacting Kinase, Human 510 0.35 Binding ≤ 1μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 210 0.37 Binding ≤ 1μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 13 0.44 Binding ≤ 1μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 100 0.39 Binding ≤ 1μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 80 0.40 Binding ≤ 1μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 80 0.40 Binding ≤ 1μM
KS6A1_HUMAN Q15418 Ribosomal Protein S6 Kinase Alpha 1, Human 170 0.38 Binding ≤ 1μM
KS6A6_HUMAN Q9UK32 Ribosomal Protein S6 Kinase Alpha 6, Human 270 0.37 Binding ≤ 1μM
NLK_HUMAN Q9UBE8 Serine/threonine Protein Kinase NLK, Human 28 0.42 Binding ≤ 1μM
STK36_HUMAN Q9NRP7 Serine/threonine-protein Kinase 36, Human 790 0.34 Binding ≤ 1μM
BRAF_HUMAN P15056 Serine/threonine-protein Kinase B-raf, Human 620 0.35 Binding ≤ 1μM
GAK_HUMAN O14976 Serine/threonine-protein Kinase GAK, Human 53 0.41 Binding ≤ 1μM
MRCKG_HUMAN Q6DT37 Serine/threonine-protein Kinase MRCK Gamma, Human 640 0.35 Binding ≤ 1μM
RIPK2_HUMAN O43353 Serine/threonine-protein Kinase RIPK2, Human 150 0.38 Binding ≤ 1μM
ACV1B_HUMAN P36896 Activin Receptor Type-1B, Human 950 0.34 Binding ≤ 10μM
AVR2B_HUMAN Q13705 Activin Receptor Type-2B, Human 4800 0.30 Binding ≤ 10μM
MK08_HUMAN P45983 C-Jun N-terminal Kinase 1, Human 2400 0.31 Binding ≤ 10μM
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 120 0.39 Binding ≤ 10μM
MK10_HUMAN P53779 C-Jun N-terminal Kinase 3, Human 42 0.41 Binding ≤ 10μM
KAPCA_HUMAN P17612 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human 1700 0.32 Binding ≤ 10μM
KAPCB_HUMAN P22694 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human 530 0.35 Binding ≤ 10μM
KC1D_HUMAN P48730 Casein Kinase I Delta, Human 59 0.40 Binding ≤ 10μM
KC1E_HUMAN P49674 Casein Kinase I Epsilon, Human 170 0.38 Binding ≤ 10μM
KC1AL_HUMAN Q8N752 Casein Kinase I Isoform Alpha-like, Human 1900 0.32 Binding ≤ 10μM
CTRO_HUMAN O14578 Citron Rho-interacting Kinase, Human 510 0.35 Binding ≤ 10μM
DDR2_HUMAN Q16832 Discoidin Domain-containing Receptor 2, Human 1600 0.32 Binding ≤ 10μM
MP2K2_HUMAN P36507 Dual Specificity Mitogen-activated Protein Kinase Kinase 2, Human 9600 0.28 Binding ≤ 10μM
TTK_HUMAN P33981 Dual Specificity Protein Kinase TTK, Human 4500 0.30 Binding ≤ 10μM
EPHA6_HUMAN Q9UF33 Ephrin Type-A Receptor 6, Human 2200 0.32 Binding ≤ 10μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 1100 0.33 Binding ≤ 10μM
DDR1_HUMAN Q08345 Epithelial Discoidin Domain-containing Receptor 1, Human 1100 0.33 Binding ≤ 10μM
GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 2700 0.31 Binding ≤ 10μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 13 0.44 Binding ≤ 10μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 100 0.39 Binding ≤ 10μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 80 0.40 Binding ≤ 10μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 3300 0.31 Binding ≤ 10μM
KS6A1_HUMAN Q15418 Ribosomal Protein S6 Kinase Alpha 1, Human 170 0.38 Binding ≤ 10μM
KS6A6_HUMAN Q9UK32 Ribosomal Protein S6 Kinase Alpha 6, Human 270 0.37 Binding ≤ 10μM
NLK_HUMAN Q9UBE8 Serine/threonine Protein Kinase NLK, Human 28 0.42 Binding ≤ 10μM
SLK_HUMAN Q9H2G2 Serine/threonine-protein Kinase 2, Human 3200 0.31 Binding ≤ 10μM
ST32B_HUMAN Q9NY57 Serine/threonine-protein Kinase 32B, Human 4900 0.30 Binding ≤ 10μM
STK36_HUMAN Q9NRP7 Serine/threonine-protein Kinase 36, Human 3800 0.30 Binding ≤ 10μM
BRAF_HUMAN P15056 Serine/threonine-protein Kinase B-raf, Human 4800 0.30 Binding ≤ 10μM
GAK_HUMAN O14976 Serine/threonine-protein Kinase GAK, Human 53 0.41 Binding ≤ 10μM
LATS2_HUMAN Q9NRM7 Serine/threonine-protein Kinase LATS2, Human 1700 0.32 Binding ≤ 10μM
MRCKB_HUMAN Q9Y5S2 Serine/threonine-protein Kinase MRCK Beta, Human 4200 0.30 Binding ≤ 10μM
MRCKG_HUMAN Q6DT37 Serine/threonine-protein Kinase MRCK Gamma, Human 640 0.35 Binding ≤ 10μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 1900 0.32 Binding ≤ 10μM
RIPK2_HUMAN O43353 Serine/threonine-protein Kinase RIPK2, Human 150 0.38 Binding ≤ 10μM
TNIK_HUMAN Q9UKE5 TRAF2- And NCK-interacting Kinase, Human 10000 0.28 Binding ≤ 10μM
TBA1A_RAT P68370 Tubulin Alpha-1 Chain, Rat 4900 0.30 Binding ≤ 10μM
PTK6_HUMAN Q13882 Tyrosine-protein Kinase BRK, Human 3000 0.31 Binding ≤ 10μM
FRK_HUMAN P42685 Tyrosine-protein Kinase FRK, Human 3100 0.31 Binding ≤ 10μM
ADCK4_HUMAN Q96D53 Uncharacterized AarF Domain-containing Protein Kinase 4, Human 4900 0.30 Binding ≤ 10μM
LOX5_HUMAN P09917 Arachidonate 5-lipoxygenase, Human 50 0.41 Functional ≤ 10μM
Z100081 Z100081 PBMC (Peripheral Blood Mononuclear Cells) 50 0.41 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 6309.57344 0.29 Functional ≤ 10μM
Z50472 Z50472 Toxoplasma Gondii 1000 0.34 Functional ≤ 10μM
Z102116 Z102116 Toxoplasma Gondii RH 5000 0.30 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
activated TAK1 mediates p38 MAPK activation
Activation of BIM and translocation to mitochondria
Activation of BMF and translocation to mitochondria
Activation of PPARGC1A (PGC-1alpha) by phosphorylation
Activation of the AP-1 family of transcription factors
ADP signalling through P2Y purinoceptor 1
AKT phosphorylates targets in the cytosol
APC truncation mutants have impaired AXIN binding
ARMS-mediated activation
AXIN missense mutants destabilize the destruction complex
Beta-catenin phosphorylation cascade
Ca2+ pathway
CDO in myogenesis
Circadian Clock
Constitutive PI3K/AKT Signaling in Cancer
CREB phosphorylation
CREB phosphorylation through the activation of Adenylate Cyclase
CREB phosphorylation through the activation of Ras
CRMPs in Sema3A signaling
DARPP-32 events
Degradation of beta-catenin by the destruction complex
disassembly of the destruction complex and recruitment of AXIN to the membrane
Downstream TCR signaling
DSCAM interactions
EGFR downregulation
EGFR interacts with phospholipase C-gamma
EGFR Transactivation by Gastrin
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
ERK/MAPK targets
ERK2 activation
Factors involved in megakaryocyte development and platelet production
FCERI mediated MAPK activation
Formation of tubulin folding intermediates by CCT/TriC
Frs2-mediated activation
GAB1 signalosome
Gap junction assembly
Gastrin-CREB signalling pathway via PKC and MAPK
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
Gluconeogenesis
Golgi Associated Vesicle Biogenesis
GP1b-IX-V activation signalling
GRB2 events in EGFR signaling
GRB2 events in ERBB2 signaling
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis
Interleukin-1 signaling
Interleukin-3, 5 and GM-CSF signaling
JNK (c-Jun kinases) phosphorylation and activation mediated by activated human
Kinesins
KSRP destabilizes mRNA
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
MEK activation
MHC class II antigen presentation
Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane
misspliced GSK3beta mutants stabilize beta-catenin
Mitotic Prometaphase
NOD1/2 Signaling Pathway
Non-integrin membrane-ECM interactions
NRAGE signals death through JNK
NRIF signals cell death from the nucleus
Oxidative Stress Induced Senescence
p38MAPK events
p75NTR recruits signalling complexes
PI3K events in ERBB2 signaling
PIP3 activates AKT signaling
PKA activation
PKA activation in glucagon signalling
PKA-mediated phosphorylation of CREB
PKA-mediated phosphorylation of key metabolic factors
Platelet sensitization by LDL
PLCG1 events in ERBB2 signaling
Post-chaperonin tubulin folding pathway
Prefoldin mediated transfer of substrate to CCT/TriC
RAF activation
RAF phosphorylates MEK
Rap1 signalling
Recruitment of mitotic centrosome proteins and complexes
Recruitment of NuMA to mitotic centrosomes
Recycling pathway of L1
Regulation of HSF1-mediated heat shock response
Regulation of insulin secretion
Regulation of PLK1 Activity at G2/M Transition
Regulation of signaling by NODAL
Resolution of Sister Chromatid Cohesion
RSK activation
S33 mutants of beta-catenin aren't phosphorylated
S37 mutants of beta-catenin aren't phosphorylated
S45 mutants of beta-catenin aren't phosphorylated
Senescence-Associated Secretory Phenotype (SASP)
Separation of Sister Chromatids
SHC1 events in EGFR signaling
SHC1 events in ERBB2 signaling
Signal transduction by L1
Signaling by Activin
Signaling by BMP
Signaling by constitutively active EGFR
Signaling by EGFR
Signaling by ERBB2
Signaling by ERBB4
Signaling by FGFR
Signaling by Hippo
Signaling by NODAL
Signalling to p38 via RIT and RIN
Spry regulation of FGF signaling
Stimuli-sensing channels
Synthesis of 5-eicosatetraenoic acids
Synthesis of Leukotrienes (LT) and Eoxins (EX)
Synthesis of Lipoxins (LX)
T41 mutants of beta-catenin aren't phosphorylated
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
Translocation of GLUT4 to the plasma membrane
truncations of AMER1 destabilize the destruction complex
Uptake and function of anthrax toxins
Vasopressin regulates renal water homeostasis via Aquaporins
VEGFA-VEGFR2 Pathway
WNT mediated activation of DVL

Analogs ( Draw Identity 99% 90% 80% 70% )