BDBM50267400 (4Z)-4-{[(3-Hydroxy-4-propoxybenzyl)amino]methylene}-6-iodoisoquinoline-1,3(2H,4H)-dione::CHEMBL477861

SMILES: CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O

InChI Key: InChIKey=WJJVWYDZDZLLIM-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 = 50267400   

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))	BDBM50267400 ((4Z)-4-{[(3-Hydroxy-4-propoxybenzyl)amino]methylen...) Show SMILES CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C20H19IN2O4/c1-2-7-27-18-6-3-12(8-17(18)24)10-22-11-16-15-9-13(21)4-5-14(15)19(25)23-20(16)26/h3-6,8-9,11,22,24H,2,7,10H2,1H3,(H,23,25,26)	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	2.60E+3	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))	BDBM50267400 ((4Z)-4-{[(3-Hydroxy-4-propoxybenzyl)amino]methylen...) Show SMILES CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C20H19IN2O4/c1-2-7-27-18-6-3-12(8-17(18)24)10-22-11-16-15-9-13(21)4-5-14(15)19(25)23-20(16)26/h3-6,8-9,11,22,24H,2,7,10H2,1H3,(H,23,25,26)	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	20	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))	BDBM50267400 ((4Z)-4-{[(3-Hydroxy-4-propoxybenzyl)amino]methylen...) Show SMILES CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C20H19IN2O4/c1-2-7-27-18-6-3-12(8-17(18)24)10-22-11-16-15-9-13(21)4-5-14(15)19(25)23-20(16)26/h3-6,8-9,11,22,24H,2,7,10H2,1H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+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