Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50018703'   

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))	BDBM50018703 (CHEMBL3286446) Show SMILES Cc1c(sc2c1[nH]c(=O)c1ccccc21)C(=O)N1CCC(=CC1)c1ccc(F)cc1 |c:23| Show InChI InChI=1S/C24H19FN2O2S/c1-14-20-22(18-4-2-3-5-19(18)23(28)26-20)30-21(14)24(29)27-12-10-16(11-13-27)15-6-8-17(25)9-7-15/h2-10H,11-13H2,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP-1 after 1 hr by ELISA				Bioorg Med Chem Lett 24: 2669-73 (2014) Article DOI: 10.1016/j.bmcl.2014.04.061 BindingDB Entry DOI: 10.7270/Q2ZC84FM
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