BDBM50267866 4-[(3-Hydroxy-4-methoxy-benzylamino)-methylene]-6-methoxy-4H-isoquinoline-1,3-dione::CHEMBL489246

SMILES: COc1ccc2C(=O)NC(=O)C(=CNCc3ccc(OC)c(O)c3)c2c1

InChI Key: InChIKey=BTFWCZZUBLMCLR-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 = 50267866   

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))	BDBM50267866 (4-[(3-Hydroxy-4-methoxy-benzylamino)-methylene]-6-...) Show SMILES COc1ccc2C(=O)NC(=O)C(=CNCc3ccc(OC)c(O)c3)c2c1 |w:12.12| Show InChI InChI=1S/C19H18N2O5/c1-25-12-4-5-13-14(8-12)15(19(24)21-18(13)23)10-20-9-11-3-6-17(26-2)16(22)7-11/h3-8,10,20,22H,9H2,1-2H3,(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	2.90E+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))	BDBM50267866 (4-[(3-Hydroxy-4-methoxy-benzylamino)-methylene]-6-...) Show SMILES COc1ccc2C(=O)NC(=O)C(=CNCc3ccc(OC)c(O)c3)c2c1 |w:12.12| Show InChI InChI=1S/C19H18N2O5/c1-25-12-4-5-13-14(8-12)15(19(24)21-18(13)23)10-20-9-11-3-6-17(26-2)16(22)7-11/h3-8,10,20,22H,9H2,1-2H3,(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	31	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))	BDBM50267866 (4-[(3-Hydroxy-4-methoxy-benzylamino)-methylene]-6-...) Show SMILES COc1ccc2C(=O)NC(=O)C(=CNCc3ccc(OC)c(O)c3)c2c1 |w:12.12| Show InChI InChI=1S/C19H18N2O5/c1-25-12-4-5-13-14(8-12)15(19(24)21-18(13)23)10-20-9-11-3-6-17(26-2)16(22)7-11/h3-8,10,20,22H,9H2,1-2H3,(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	2.23E+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