Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50276741'   

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))	BDBM50276741 (CHEMBL4159834) Show SMILES Fc1cc(Cc2n[nH]c(=O)c3ccccc23)cc(C(=O)N2CCN(CC2)c2nccs2)c1F Show InChI InChI=1S/C23H19F2N5O2S/c24-18-12-14(13-19-15-3-1-2-4-16(15)21(31)28-27-19)11-17(20(18)25)22(32)29-6-8-30(9-7-29)23-26-5-10-33-23/h1-5,10-12H,6-9,13H2,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	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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