BDBM50267580 (4Z)-6-Iodo-4-({[(2-oxo-1-phenyl-1,2dihydropyridin-4-yl)methyl]amino}methylene)isoquinoline-1,3(2H,4H)-dione::CHEMBL490251

SMILES: Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccccc4)c(=O)c3)c2c1

InChI Key: InChIKey=XZALDXWNIBEFGZ-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 = 50267580   

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))	BDBM50267580 ((4Z)-6-Iodo-4-({[(2-oxo-1-phenyl-1,2dihydropyridin...) Show SMILES Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccccc4)c(=O)c3)c2c1 |w:11.11| Show InChI InChI=1S/C22H16IN3O3/c23-15-6-7-17-18(11-15)19(22(29)25-21(17)28)13-24-12-14-8-9-26(20(27)10-14)16-4-2-1-3-5-16/h1-11,13,24H,12H2,(H,25,28,29)	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	4.15E+4	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))	BDBM50267580 ((4Z)-6-Iodo-4-({[(2-oxo-1-phenyl-1,2dihydropyridin...) Show SMILES Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccccc4)c(=O)c3)c2c1 |w:11.11| Show InChI InChI=1S/C22H16IN3O3/c23-15-6-7-17-18(11-15)19(22(29)25-21(17)28)13-24-12-14-8-9-26(20(27)10-14)16-4-2-1-3-5-16/h1-11,13,24H,12H2,(H,25,28,29)	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	270	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))	BDBM50267580 ((4Z)-6-Iodo-4-({[(2-oxo-1-phenyl-1,2dihydropyridin...) Show SMILES Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccccc4)c(=O)c3)c2c1 |w:11.11| Show InChI InChI=1S/C22H16IN3O3/c23-15-6-7-17-18(11-15)19(22(29)25-21(17)28)13-24-12-14-8-9-26(20(27)10-14)16-4-2-1-3-5-16/h1-11,13,24H,12H2,(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.96E+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