BDBM50309251 6-(4-fluoro-3-(4-(2-(4-fluorobenzyl)pyrrolidine-2-carbonyl)piperazine-1-carbonyl)benzyl)-4,5-dimethylpyridazin-3(2H)-one::CHEMBL592486

SMILES: Cc1c(C)c(=O)[nH]nc1Cc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1(Cc2ccc(F)cc2)CCCN1

InChI Key: InChIKey=HLSPKSKIHXWFRR-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 = 50309251   

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))	BDBM50309251 (6-(4-fluoro-3-(4-(2-(4-fluorobenzyl)pyrrolidine-2-...) Show SMILES Cc1c(C)c(=O)[nH]nc1Cc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1(Cc2ccc(F)cc2)CCCN1 Show InChI InChI=1S/C30H33F2N5O3/c1-19-20(2)27(38)35-34-26(19)17-22-6-9-25(32)24(16-22)28(39)36-12-14-37(15-13-36)29(40)30(10-3-11-33-30)18-21-4-7-23(31)8-5-21/h4-9,16,33H,3,10-15,17-18H2,1-2H3,(H,35,38)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	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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