BDBM50314487 9-(1-(2-(piperidin-1-yl)ethyl)piperidin-4-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one::CHEMBL1089332

SMILES: O=c1[nH]c2ccc(OC3CCN(CCN4CCCCC4)CC3)cc2c2CCSCc12

InChI Key: InChIKey=NWXTZVNCIYJDII-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50314487   

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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50314487 (9-(1-(2-(piperidin-1-yl)ethyl)piperidin-4-yloxy)-4...) Show SMILES O=c1[nH]c2ccc(OC3CCN(CCN4CCCCC4)CC3)cc2c2CCSCc12 Show InChI InChI=1S/C24H33N3O2S/c28-24-22-17-30-15-8-20(22)21-16-19(4-5-23(21)25-24)29-18-6-11-27(12-7-18)14-13-26-9-2-1-3-10-26/h4-5,16,18H,1-3,6-15,17H2,(H,25,28)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Jeil Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of PARP1				Bioorg Med Chem Lett 20: 2250-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.014 BindingDB Entry DOI: 10.7270/Q25M65VX
					More data for this Ligand-Target Pair