Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50255358'   

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))	BDBM50255358 ((E)-N-((1H-Indol-3-yl)methylene)-4-(2,4-diethoxyph...) Show SMILES CCOc1ccc(-c2csc(\N=C\c3c[nH]c4ccccc34)n2)c(OCC)c1 Show InChI InChI=1S/C22H21N3O2S/c1-3-26-16-9-10-18(21(11-16)27-4-2)20-14-28-22(25-20)24-13-15-12-23-19-8-6-5-7-17(15)19/h5-14,23H,3-4H2,1-2H3/b24-13+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP1				J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW
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