Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50276697'   

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))	BDBM50276697 (CHEMBL4169012) Show SMILES Fc1cc(Cc2n[nH]c(=O)c3ccccc23)cc(C(=O)N2CCN(CC2)c2ccccc2C#N)c1F Show InChI InChI=1S/C27H21F2N5O2/c28-22-14-17(15-23-19-6-2-3-7-20(19)26(35)32-31-23)13-21(25(22)29)27(36)34-11-9-33(10-12-34)24-8-4-1-5-18(24)16-30/h1-8,13-14H,9-12,15H2,(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) by ELISA				Eur J Med Chem 138: 514-531 (2017) Article DOI: 10.1016/j.ejmech.2017.06.053 BindingDB Entry DOI: 10.7270/Q2HT2RVM
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