UCSF

ZINC02560262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 25 No

Popular Name: 3,4-Bis(3-indolyl)maleimide 3,4-Bis(3-indolyl)maleimide

Find On: PubMed — Wikipedia — Google

CAS Number: 119139-23-0

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) 3.47 -2.53 -11.9 3 5 0 81 327.343 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 3100 0.31 Binding ≤ 10μM
KCC2D-1-E CaM Kinase II Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 1190 0.33 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 190 0.38 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 550 0.35 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 190 0.38 Binding ≤ 10μM
KPCD1-2-E Protein Kinase C Mu (cluster #2 Of 3), Eukaryotic Eukaryotes 190 0.38 Binding ≤ 10μM
KPCD3-2-E Protein Kinase C Nu (cluster #2 Of 3), Eukaryotic Eukaryotes 190 0.38 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 7516 0.29 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 550 0.35 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 190 0.38 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 550 0.35 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 550 0.35 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 190 0.38 Binding ≤ 10μM
PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 27 0.42 Binding ≤ 10μM
SIRT2-3-E NAD-dependent Deacetylase Sirtuin 2 (cluster #3 Of 3), Eukaryotic Eukaryotes 4700 0.30 Binding ≤ 10μM
Z104295-1-O Cyclin-dependent Kinase 4/cyclin D1 (cluster #1 Of 2), Other Other 5810 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 100 0.39 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 190 0.38 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 190 0.38 Binding ≤ 1μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 100 0.39 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 190 0.38 Binding ≤ 1μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 100 0.39 Binding ≤ 1μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 100 0.39 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 190 0.38 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 190 0.38 Binding ≤ 1μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 100 0.39 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 190 0.38 Binding ≤ 1μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 100 0.39 Binding ≤ 1μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 190 0.38 Binding ≤ 1μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 190 0.38 Binding ≤ 1μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 190 0.38 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 190 0.38 Binding ≤ 1μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 100 0.39 Binding ≤ 1μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 190 0.38 Binding ≤ 1μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 100 0.39 Binding ≤ 1μM
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 27 0.42 Binding ≤ 1μM
KCC2D_HUMAN Q13557 CaM Kinase II Delta, Human 1190 0.33 Binding ≤ 10μM
KAPCA_RAT P27791 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Rat 3100 0.31 Binding ≤ 10μM
Z104295 Z104295 Cyclin-dependent Kinase 4/cyclin D1 5810 0.29 Binding ≤ 10μM
SIRT2_HUMAN Q8IXJ6 NAD-dependent Deacetylase Sirtuin 2, Human 4700 0.30 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 1599 0.32 Binding ≤ 10μM
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 100 0.39 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 190 0.38 Binding ≤ 10μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 100 0.39 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 190 0.38 Binding ≤ 10μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 100 0.39 Binding ≤ 10μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 100 0.39 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 190 0.38 Binding ≤ 10μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 100 0.39 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 190 0.38 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 100 0.39 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 190 0.38 Binding ≤ 10μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 190 0.38 Binding ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 190 0.38 Binding ≤ 10μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 190 0.38 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 190 0.38 Binding ≤ 10μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 100 0.39 Binding ≤ 10μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 100 0.39 Binding ≤ 10μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 190 0.38 Binding ≤ 10μM
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 27 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Activation of NF-kappaB in B cells
Apoptotic cleavage of cellular proteins
Ca2+ pathway
Calmodulin induced events
CREB phosphorylation through the activation of CaMKII
CREB phosphorylation through the activation of Ras
DAG and IP3 signaling
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Downstream TCR signaling
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
FCERI mediated NF-kB activation
G alpha (z) signalling events
GPVI-mediated activation cascade
HSF1-dependent transactivation
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Interferon gamma signaling
Netrin-1 signaling
p75NTR recruits signalling complexes
Ras activation uopn Ca2+ infux through NMDA receptor
Regulation of KIT signaling
Response to elevated platelet cytosolic Ca2+
Role of phospholipids in phagocytosis
Signaling by SCF-KIT
Sphingolipid de novo biosynthesis
Syndecan interactions
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition)
Tight junction interactions
Trafficking of AMPA receptors
Trafficking of GluR2-containing AMPA receptors
Unblocking of NMDA receptor, glutamate binding and activation
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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