Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50387920'   

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))	BDBM50387920 (CHEMBL2058683) Show SMILES Cc1[nH]c(=O)n(c1O)-c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F |(4.55,-21.26,;3.02,-21.1,;2.24,-19.77,;.74,-20.1,;-.41,-19.07,;.59,-21.62,;1.99,-22.25,;2.31,-23.76,;-.74,-22.4,;-2.07,-21.63,;-3.4,-22.4,;-4.73,-21.63,;-4.73,-20.09,;-3.4,-19.33,;-3.4,-17.78,;-4.73,-17.02,;-4.73,-15.48,;-6.05,-17.79,;-7.38,-17.01,;-8.71,-17.79,;-8.71,-19.33,;-7.38,-20.09,;-6.06,-19.32,;-3.41,-23.94,;-2.07,-24.71,;-.74,-23.94,;.6,-24.71,)| Show InChI InChI=1S/C18H18FN5O3/c1-9-17(26)24(18(27)21-9)14-8-10(4-5-12(14)19)7-13-15-11(3-2-6-20-15)16(25)23-22-13/h4-5,8,20,26H,2-3,6-7H2,1H3,(H,21,27)(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50387920 (CHEMBL2058683) Show SMILES Cc1[nH]c(=O)n(c1O)-c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F |(4.55,-21.26,;3.02,-21.1,;2.24,-19.77,;.74,-20.1,;-.41,-19.07,;.59,-21.62,;1.99,-22.25,;2.31,-23.76,;-.74,-22.4,;-2.07,-21.63,;-3.4,-22.4,;-4.73,-21.63,;-4.73,-20.09,;-3.4,-19.33,;-3.4,-17.78,;-4.73,-17.02,;-4.73,-15.48,;-6.05,-17.79,;-7.38,-17.01,;-8.71,-17.79,;-8.71,-19.33,;-7.38,-20.09,;-6.06,-19.32,;-3.41,-23.94,;-2.07,-24.71,;-.74,-23.94,;.6,-24.71,)| Show InChI InChI=1S/C18H18FN5O3/c1-9-17(26)24(18(27)21-9)14-8-10(4-5-12(14)19)7-13-15-11(3-2-6-20-15)16(25)23-22-13/h4-5,8,20,26H,2-3,6-7H2,1H3,(H,21,27)(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	271	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain...				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