BDBM50309242 (S)-6-(4-fluoro-3-(4-(pyrrolidine-2-carbonyl)piperazine-1-carbonyl)benzyl)-4,5-dimethylpyridazin-3(2H)-one::CHEMBL599167

SMILES: Cc1c(Cc2ccc(F)c(c2)C(=O)N2CCN(CC2)C(=O)[C@@H]2CCCN2)n[nH]c(=O)c1C

InChI Key: InChIKey=ZBDIRHOICWZSET-IBGZPJMESA-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 = 50309242   

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))	BDBM50309242 ((S)-6-(4-fluoro-3-(4-(pyrrolidine-2-carbonyl)piper...) Show SMILES Cc1c(Cc2ccc(F)c(c2)C(=O)N2CCN(CC2)C(=O)[C@@H]2CCCN2)n[nH]c(=O)c1C |r| Show InChI InChI=1S/C23H28FN5O3/c1-14-15(2)21(30)27-26-20(14)13-16-5-6-18(24)17(12-16)22(31)28-8-10-29(11-9-28)23(32)19-4-3-7-25-19/h5-6,12,19,25H,3-4,7-11,13H2,1-2H3,(H,27,30)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	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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