Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50416361'   

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))	BDBM50416361 (CHEMBL1171304) Show SMILES O=c1[nH]c(NCCN2CCN(CC2)c2n[nH]c3ccccc23)nc2ccccc12 Show InChI InChI=1S/C21H23N7O/c29-20-16-6-2-3-7-17(16)23-21(24-20)22-9-10-27-11-13-28(14-12-27)19-15-5-1-4-8-18(15)25-26-19/h1-8H,9-14H2,(H,25,26)(H2,22,23,24,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.93	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Brain Science Institute Curated by ChEMBL					Assay Description Inhibition of PARP1				J Med Chem 53: 4561-84 (2010) Article DOI: 10.1021/jm100012m BindingDB Entry DOI: 10.7270/Q2NV9JF0
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