Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306206'   

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))	BDBM50306206 (2-(4-(2-morpholinoethylcarbamoyl)phenyl)-2H-indazo...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C21H23N5O3/c22-20(27)18-3-1-2-16-14-26(24-19(16)18)17-6-4-15(5-7-17)21(28)23-8-9-25-10-12-29-13-11-25/h1-7,14H,8-13H2,(H2,22,27)(H,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 after 3 hrs using [3H]NAD+ by scintillation proximity assay				Bioorg Med Chem Lett 20: 488-92 (2010) Article DOI: 10.1016/j.bmcl.2009.11.127 BindingDB Entry DOI: 10.7270/Q2W37WFZ
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