BDBM50309250 6-(3-(4-(2-benzylpyrrolidine-2-carbonyl)piperazine-1-carbonyl)-4-fluorobenzyl)-4,5-dimethylpyridazin-3(2H)-one::CHEMBL590882

SMILES: Cc1c(C)c(=O)[nH]nc1Cc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1(Cc2ccccc2)CCCN1

InChI Key: InChIKey=OZYGNUDTAZNWSK-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50309250   

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))	BDBM50309250 (6-(3-(4-(2-benzylpyrrolidine-2-carbonyl)piperazine...) Show SMILES Cc1c(C)c(=O)[nH]nc1Cc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1(Cc2ccccc2)CCCN1 Show InChI InChI=1S/C30H34FN5O3/c1-20-21(2)27(37)34-33-26(20)18-23-9-10-25(31)24(17-23)28(38)35-13-15-36(16-14-35)29(39)30(11-6-12-32-30)19-22-7-4-3-5-8-22/h3-5,7-10,17,32H,6,11-16,18-19H2,1-2H3,(H,34,37)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	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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