BDBM7287 8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one::CHEMBL430574::NSC 641166::Paullone
SMILES: O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
InChI Key: InChIKey=VGMDAWVZNAXVDG-UHFFFAOYSA-N
Data: 24 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | 30 |
CNRS | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P... | Eur J Biochem 267: 5983-94 (2000) Article DOI: 10.1046/j.1432-1327.2000.01673.x BindingDB Entry DOI: 10.7270/Q2CR5RJS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity by measuring its ability to displace [3H]clonidine from alpha-adrenergic receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen Synthase Kinase-3, beta (Rattus norvegicus (rat)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | 30 |
CNRS | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P... | Eur J Biochem 267: 5983-94 (2000) Article DOI: 10.1046/j.1432-1327.2000.01673.x BindingDB Entry DOI: 10.7270/Q2CR5RJS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCKBR (RAT) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity by measuring its ability to displace [3H]L-365,260 from cholecystokinin receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity, measured by displacement [3H]-CP-55,940 from cannabinoid receptor (CB1) in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Hamburg Curated by ChEMBL | Assay Description In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Dependent Kinase) harvested from starfish oocytes. | J Med Chem 42: 2909-19 (1999) Article DOI: 10.1021/jm9900570 BindingDB Entry DOI: 10.7270/Q21C1W2R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University Curated by ChEMBL | Assay Description Competitive inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 30 mins by scintillation counting analysis i... | Eur J Med Chem 107: 63-81 (2015) BindingDB Entry DOI: 10.7270/Q2TH8PH8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of human recombinant CDK2/cyclin A assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation c... | Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of human recombinant CDK5/p25 assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation counti... | Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of human recombinant CDK9/cyclin T expressed in insect cells assessed as incorporation of [gamma-33P]-ATP in to pRB fragment (773 to 928) ... | Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Casein kinase I isoform alpha (Sus scrofa) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting | Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificty protein kinase CLK1 (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of CLK1 | Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli assessed as assessed as incorporation of [gamma-33P]-ATP into myelin bas... | Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase 3 (Plasmodium falciparum (isolate 3D7)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum GSK3 | Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of CDK1/cyclin B | Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Braunschweig Curated by ChEMBL | Assay Description Inhibition of CDK1/cyclin B expressed in M phase starfish oocyte | Eur J Med Chem 45: 335-42 (2010) Article DOI: 10.1016/j.ejmech.2009.10.018 BindingDB Entry DOI: 10.7270/Q26W9C1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Braunschweig Curated by ChEMBL | Assay Description Inhibition of GSK3-beta expressed in insect Sf9 cells | Eur J Med Chem 45: 335-42 (2010) Article DOI: 10.1016/j.ejmech.2009.10.018 BindingDB Entry DOI: 10.7270/Q26W9C1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto Curated by ChEMBL | Assay Description Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti... | Bioorg Med Chem Lett 20: 1693-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.038 BindingDB Entry DOI: 10.7270/Q2ZK5HNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 1 (5-HT1) receptor (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity by measuring its ability to displace [3H]ketanserin from serotonin receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptor (Rattus norvegicus (rat)-RAT) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibition of [3H]naxolone binding to opiate receptors in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity by measuring its ability to displace [3H]WB-4101 from alpha-adrenergic receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptor (Rattus norvegicus (rat)-RAT) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Tested for inhibitory activity by measuring its ability to displace [3H]3-PPP from opiate receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor beta (Rattus norvegicus (Rat)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research Curated by ChEMBL | Assay Description Inhibitory activity by measuring its ability to displace [125I]pindolol from beta-adrenergic receptor in rat brain | J Med Chem 36: 2908-20 (1993) BindingDB Entry DOI: 10.7270/Q2C24VGV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human)) | BDBM7287 (8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | 30 |
CNRS | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P... | Eur J Biochem 267: 5983-94 (2000) Article DOI: 10.1046/j.1432-1327.2000.01673.x BindingDB Entry DOI: 10.7270/Q2CR5RJS | |||||||||||
More data for this Ligand-Target Pair |