Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50387917'   

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))	BDBM50387917 (CHEMBL2058678 | US9283222, 467) Show SMILES Nc1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C14H15FN4O/c15-10-4-3-8(6-11(10)16)7-12-13-9(2-1-5-17-13)14(20)19-18-12/h3-4,6,17H,1-2,5,7,16H2,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	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 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387917 (CHEMBL2058678 | US9283222, 467) Show SMILES Nc1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C14H15FN4O/c15-10-4-3-8(6-11(10)16)7-12-13-9(2-1-5-17-13)14(20)19-18-12/h3-4,6,17H,1-2,5,7,16H2,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	116	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair