BDBM7263 9-cyanopaullone::9-oxo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaene-14-carbonitrile::CHEMBL299756::NSC 704626::Paullone Analog 2
SMILES: O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2ccccc2N1
InChI Key: InChIKey=LBVIZFWUIQSZHP-UHFFFAOYSA-N
Data: 7 IC50
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)) | BDBM7263 (9-cyanopaullone | 9-oxo-8,18-diazatetracyclo[9.7.0...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | 7.2 | 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 | |||||||||||||
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human)) | BDBM7263 (9-cyanopaullone | 9-oxo-8,18-diazatetracyclo[9.7.0...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 44 | 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 | |||||||||||||
Glycogen Synthase Kinase-3, beta (Rattus norvegicus (rat)) | BDBM7263 (9-cyanopaullone | 9-oxo-8,18-diazatetracyclo[9.7.0...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | 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 | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM7263 (9-cyanopaullone | 9-oxo-8,18-diazatetracyclo[9.7.0...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells using GS1 as substrate and [gamma32]ATP after 30 min by scinitllation counting | Citation and Details Article DOI: 10.1007/s00044-007-9086-8 BindingDB Entry DOI: 10.7270/Q2319ZRR | |||||||||||
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)) | BDBM7263 (9-cyanopaullone | 9-oxo-8,18-diazatetracyclo[9.7.0...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 24 | 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)) | BDBM7263 (9-cyanopaullone | 9-oxo-8,18-diazatetracyclo[9.7.0...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | 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 | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM7263 (9-cyanopaullone | 9-oxo-8,18-diazatetracyclo[9.7.0...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 24 | 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 |