Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50309375'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50309375 (6,7-dichloro-4-(4-fluoro-3-(4-pivaloylpiperazine-1...) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C24H25Cl2FN4O3/c1-24(2,3)23(34)30-8-6-29(7-9-30)22(33)16-11-14(4-5-18(16)27)10-15-13-28-21(32)19-12-17(25)20(26)31(15)19/h4-5,11-13H,6-10H2,1-3H3,(H,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 by topcount microplate scintillation counter				Bioorg Med Chem Lett 20: 1094-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.026 BindingDB Entry DOI: 10.7270/Q2FB531P
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