Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50096207'   

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))	BDBM50096207 (CHEMBL3593984) Show SMILES CC(=O)Nc1ccccc1-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C32H48N5O8P.K/c1-4-21(2)29-28(38)20-36-16-10-9-15-27(36)32(41)33-24(13-6-5-11-17-46(42,43)44)30(39)34-25(31(40)35-29)18-22-19-37(45-3)26-14-8-7-12-23(22)26;/h7-8,12,14,19,21,24-25,27,29H,4-6,9-11,13,15-18,20H2,1-3H3,(H,33,41)(H,34,39)(H,35,40)(H2,42,43,44);/q;+1/p-1/t21?,24-,25-,27+,29-;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...				Bioorg Med Chem 23: 4669-80 (2015) Article DOI: 10.1016/j.bmc.2015.05.051 BindingDB Entry DOI: 10.7270/Q2S75J2K
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