In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 26 | No |
Popular Name: bromoBLAHdione bromoBLAHdione
None
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) | 4.51 | 6.16 | -13.22 | 3 | 5 | 0 | 82 | 404.223 | 0 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CCNB1-2-E | G2/mitotic-specific Cyclin B1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 300 | 0.35 | Binding ≤ 10μM |
CCNB2-2-E | G2/mitotic-specific Cyclin B2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 300 | 0.35 | Binding ≤ 10μM |
CCNB3-2-E | G2/mitotic-specific Cyclin B3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 300 | 0.35 | Binding ≤ 10μM |
CCNE1-2-E | G1/S-specific Cyclin E1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 220 | 0.36 | Binding ≤ 10μM |
CCNE2-2-E | G1/S-specific Cyclin E2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 220 | 0.36 | Binding ≤ 10μM |
CDK1-1-E | Cyclin-dependent Kinase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 300 | 0.35 | Binding ≤ 10μM |
CDK2-2-E | Cyclin-dependent Kinase 2 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 220 | 0.36 | Binding ≤ 10μM |
KAPCA-1-E | CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 103 | 0.38 | Binding ≤ 10μM |
KAPCB-1-E | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 103 | 0.38 | Binding ≤ 10μM |
KAPCG-1-E | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 103 | 0.38 | Binding ≤ 10μM |
KCC2A-1-E | CaM Kinase II Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 58 | 0.39 | Binding ≤ 10μM |
KCC2B-1-E | CaM Kinase II Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 58 | 0.39 | Binding ≤ 10μM |
Z104295-1-O | Cyclin-dependent Kinase 4/cyclin D1 (cluster #1 Of 2), Other | Other | 80 | 0.38 | Binding ≤ 10μM |
Z80928-5-O | HCT-116 (Colon Carcinoma Cells) (cluster #5 Of 9), Other | Other | 260 | 0.35 | Functional ≤ 10μM |
Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 710 | 0.33 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KCC2A_HUMAN | Q9UQM7 | CaM Kinase II Alpha, Human | 58 | 0.39 | Binding ≤ 1μM |
KCC2B_HUMAN | Q13554 | CaM Kinase II Beta, Human | 58 | 0.39 | Binding ≤ 1μM |
KAPCA_HUMAN | P17612 | CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human | 103 | 0.38 | Binding ≤ 1μM |
KAPCB_HUMAN | P22694 | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human | 103 | 0.38 | Binding ≤ 1μM |
KAPCG_HUMAN | P22612 | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human | 103 | 0.38 | Binding ≤ 1μM |
CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 300 | 0.35 | Binding ≤ 1μM |
CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 220 | 0.36 | Binding ≤ 1μM |
Z104295 | Z104295 | Cyclin-dependent Kinase 4/cyclin D1 | 80 | 0.38 | Binding ≤ 1μM |
CCNE1_HUMAN | P24864 | G1/S-specific Cyclin E1, Human | 220 | 0.36 | Binding ≤ 1μM |
CCNE2_HUMAN | O96020 | G1/S-specific Cyclin E2, Human | 220 | 0.36 | Binding ≤ 1μM |
CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 300 | 0.35 | Binding ≤ 1μM |
CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 300 | 0.35 | Binding ≤ 1μM |
CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 300 | 0.35 | Binding ≤ 1μM |
KCC2A_HUMAN | Q9UQM7 | CaM Kinase II Alpha, Human | 58 | 0.39 | Binding ≤ 10μM |
KCC2B_HUMAN | Q13554 | CaM Kinase II Beta, Human | 58 | 0.39 | Binding ≤ 10μM |
KAPCA_HUMAN | P17612 | CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human | 103 | 0.38 | Binding ≤ 10μM |
KAPCB_HUMAN | P22694 | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human | 103 | 0.38 | Binding ≤ 10μM |
KAPCG_HUMAN | P22612 | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human | 103 | 0.38 | Binding ≤ 10μM |
CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 300 | 0.35 | Binding ≤ 10μM |
CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 220 | 0.36 | Binding ≤ 10μM |
Z104295 | Z104295 | Cyclin-dependent Kinase 4/cyclin D1 | 80 | 0.38 | Binding ≤ 10μM |
CCNE1_HUMAN | P24864 | G1/S-specific Cyclin E1, Human | 220 | 0.36 | Binding ≤ 10μM |
CCNE2_HUMAN | O96020 | G1/S-specific Cyclin E2, Human | 220 | 0.36 | Binding ≤ 10μM |
CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 300 | 0.35 | Binding ≤ 10μM |
CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 300 | 0.35 | Binding ≤ 10μM |
CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 300 | 0.35 | Binding ≤ 10μM |
Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 260 | 0.35 | Functional ≤ 10μM |
Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 710 | 0.33 | Functional ≤ 10μM |
Description | Species |
---|---|
Activation of ATR in response to replication stress | |
Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
Activation of the pre-replicative complex | |
APC/C:Cdc20 mediated degradation of Cyclin B | |
Ca2+ pathway | |
CDK-mediated phosphorylation and removal of Cdc6 | |
Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
Condensation of Prometaphase Chromosomes | |
Condensation of Prophase Chromosomes | |
CREB phosphorylation through the activation of Adenylate Cyclase | |
CREB phosphorylation through the activation of CaMKII | |
CREB phosphorylation through the activation of Ras | |
Cyclin A/B1 associated events during G2/M transition | |
Cyclin A:Cdk2-associated events at S phase entry | |
Cyclin B2 mediated events | |
Cyclin E associated events during G1/S transition | |
DARPP-32 events | |
Depolymerisation of the Nuclear Lamina | |
DNA Damage/Telomere Stress Induced Senescence | |
E2F mediated regulation of DNA replication | |
E2F-enabled inhibition of pre-replication complex formation | |
ERK1 activation | |
Factors involved in megakaryocyte development and platelet production | |
G0 and Early G1 | |
G1/S-Specific Transcription | |
G2 Phase | |
G2/M DNA replication checkpoint | |
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion | |
Gluconeogenesis | |
Golgi Cisternae Pericentriolar Stack Reorganization | |
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
HSF1-dependent transactivation | |
Interferon gamma signaling | |
Interleukin-3, 5 and GM-CSF signaling | |
Loss of Nlp from mitotic centrosomes | |
Loss of proteins required for interphase microtubule organization from the ce | |
MASTL Facilitates Mitotic Progression | |
Meiotic recombination | |
Nuclear Pore Complex (NPC) Disassembly | |
Orc1 removal from chromatin | |
p53-Dependent G1 DNA Damage Response | |
Phosphorylation of Emi1 | |
Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
Phosphorylation of the APC/C | |
PKA activation | |
PKA activation in glucagon signalling | |
PKA-mediated phosphorylation of CREB | |
PKA-mediated phosphorylation of key metabolic factors | |
Polo-like kinase mediated events | |
Rap1 signalling | |
Ras activation uopn Ca2+ infux through NMDA receptor | |
Recruitment of mitotic centrosome proteins and complexes | |
Recruitment of NuMA to mitotic centrosomes | |
Regulation of APC/C activators between G1/S and early anaphase | |
Regulation of insulin secretion | |
Regulation of PLK1 Activity at G2/M Transition | |
Resolution of Sister Chromatid Cohesion | |
SCF(Skp2)-mediated degradation of p27/p21 | |
Senescence-Associated Secretory Phenotype (SASP) | |
Trafficking of AMPA receptors | |
Unblocking of NMDA receptor, glutamate binding and activation | |
Vasopressin regulates renal water homeostasis via Aquaporins | |
VEGFA-VEGFR2 Pathway |