Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50177453'   

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))	BDBM50177453 (4-{3-[4-(biphenyl-4-sulfonyl)-[1,4]diazepane-1-car...) Show SMILES O=C(N1CCCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C33H30N4O4S/c38-32-30-13-5-4-12-29(30)31(34-35-32)23-24-8-6-11-27(22-24)33(39)36-18-7-19-37(21-20-36)42(40,41)28-16-14-26(15-17-28)25-9-2-1-3-10-25/h1-6,8-17,22H,7,18-21,23H2,(H,35,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against PARP1				Bioorg Med Chem Lett 16: 1040-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.081 BindingDB Entry DOI: 10.7270/Q25T3K12
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