BDBM50270643 (4Z)-4-({[3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-methylene)-6-(3-furyl)isoquinoline-1,3(2H,4H)-dione::CHEMBL488562

SMILES: CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1F

InChI Key: InChIKey=OXQOQHSVEUWGMX-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 = 50270643   

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 4 (Homo sapiens (Human))	BDBM50270643 ((4Z)-4-({[3-Fluoro-4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1F |w:12.12| Show InChI InChI=1S/C25H23FN4O3/c1-29-7-9-30(10-8-29)23-5-3-18(13-22(23)26)27-14-21-20-12-16(17-6-11-33-15-17)2-4-19(20)24(31)28-25(21)32/h2-6,11-15,27H,7-10H2,1H3,(H,28,31,32)	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	80	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) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...				J Med Chem 51: 3507-25 (2008) Article DOI: 10.1021/jm800072z BindingDB Entry DOI: 10.7270/Q2CJ8D9K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50270643 ((4Z)-4-({[3-Fluoro-4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1F |w:12.12| Show InChI InChI=1S/C25H23FN4O3/c1-29-7-9-30(10-8-29)23-5-3-18(13-22(23)26)27-14-21-20-12-16(17-6-11-33-15-17)2-4-19(20)24(31)28-25(21)32/h2-6,11-15,27H,7-10H2,1H3,(H,28,31,32)	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	>5.00E+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) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phospho...				J Med Chem 51: 3507-25 (2008) Article DOI: 10.1021/jm800072z BindingDB Entry DOI: 10.7270/Q2CJ8D9K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50270643 ((4Z)-4-({[3-Fluoro-4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1F |w:12.12| Show InChI InChI=1S/C25H23FN4O3/c1-29-7-9-30(10-8-29)23-5-3-18(13-22(23)26)27-14-21-20-12-16(17-6-11-33-15-17)2-4-19(20)24(31)28-25(21)32/h2-6,11-15,27H,7-10H2,1H3,(H,28,31,32)	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) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...				J Med Chem 51: 3507-25 (2008) Article DOI: 10.1021/jm800072z BindingDB Entry DOI: 10.7270/Q2CJ8D9K
					More data for this Ligand-Target Pair