Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50295197'   

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))	BDBM50295197 (2-(3-(4-methylpiperazine-1-carbonyl)phenyl)pyrazol...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C22H21N5O2/c1-25-9-11-26(12-10-25)22(29)16-6-4-5-15(13-16)18-14-20-23-21(28)17-7-2-3-8-19(17)27(20)24-18/h2-8,13-14H,9-12H2,1H3,(H,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
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