BDBM50309235 6-(4-fluoro-3-(4-(1-(pyrrolidin-1-yl)cyclopentanecarbonyl)piperazine-1-carbonyl)benzyl)-4,5-dimethylpyridazin-3(2H)-one::CHEMBL596702

SMILES: Cc1c(Cc2ccc(F)c(c2)C(=O)N2CCN(CC2)C(=O)C2(CCCC2)N2CCCC2)n[nH]c(=O)c1C

InChI Key: InChIKey=RGBUEKBEKGTQBO-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 = 50309235   

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))	BDBM50309235 (6-(4-fluoro-3-(4-(1-(pyrrolidin-1-yl)cyclopentanec...) Show SMILES Cc1c(Cc2ccc(F)c(c2)C(=O)N2CCN(CC2)C(=O)C2(CCCC2)N2CCCC2)n[nH]c(=O)c1C Show InChI InChI=1S/C28H36FN5O3/c1-19-20(2)25(35)31-30-24(19)18-21-7-8-23(29)22(17-21)26(36)32-13-15-33(16-14-32)27(37)28(9-3-4-10-28)34-11-5-6-12-34/h7-8,17H,3-6,9-16,18H2,1-2H3,(H,31,35)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1				Bioorg Med Chem Lett 20: 1100-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.087 BindingDB Entry DOI: 10.7270/Q2Z89CJ6
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