BDBM50267479 6-Iodo-4-{[(4-hydroxy-5-methoxy-pyridin-2-ylmethyl)-amino]-methylene}-4H-isoquinoline-1,3-dione::CHEMBL477063

SMILES: COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O

InChI Key: InChIKey=BQVHAOBYHJYZSQ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50267479   

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 2 (Homo sapiens (Human))	BDBM50267479 (6-Iodo-4-{[(4-hydroxy-5-methoxy-pyridin-2-ylmethyl...) Show SMILES COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7| Show InChI InChI=1S/C17H14IN3O4/c1-25-15-8-20-10(5-14(15)22)6-19-7-13-12-4-9(18)2-3-11(12)16(23)21-17(13)24/h2-5,7-8,19H,6H2,1H3,(H,20,22)(H,21,23,24)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267479 (6-Iodo-4-{[(4-hydroxy-5-methoxy-pyridin-2-ylmethyl...) Show SMILES COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7| Show InChI InChI=1S/C17H14IN3O4/c1-25-15-8-20-10(5-14(15)22)6-19-7-13-12-4-9(18)2-3-11(12)16(23)21-17(13)24/h2-5,7-8,19H,6H2,1H3,(H,20,22)(H,21,23,24)	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
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50267479 (6-Iodo-4-{[(4-hydroxy-5-methoxy-pyridin-2-ylmethyl...) Show SMILES COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7| Show InChI InChI=1S/C17H14IN3O4/c1-25-15-8-20-10(5-14(15)22)6-19-7-13-12-4-9(18)2-3-11(12)16(23)21-17(13)24/h2-5,7-8,19H,6H2,1H3,(H,20,22)(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair