Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50251656'   

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))	BDBM50251656 (1-(2-(4-carbamoyl-1H-benzo[d]imidazol-2-yl)propan-...) Show SMILES CCNC(=O)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H19N5O2/c1-4-16-13(21)19-14(2,3)12-17-9-7-5-6-8(11(15)20)10(9)18-12/h5-7H,4H2,1-3H3,(H2,15,20)(H,17,18)(H2,16,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin)				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
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