Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM167413'   

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))	BDBM167413 (US9073893, 6) Show SMILES Cn1n(C2CCN(CC2)C2CCC(F)(F)CC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C20H26F2N4O2/c1-24-16-4-2-3-15(18(23)27)17(16)19(28)26(24)14-7-11-25(12-8-14)13-5-9-20(21,22)10-6-13/h2-4,13-14H,5-12H2,1H3,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167413 (US9073893, 6) Show SMILES Cn1n(C2CCN(CC2)C2CCC(F)(F)CC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C20H26F2N4O2/c1-24-16-4-2-3-15(18(23)27)17(16)19(28)26(24)14-7-11-25(12-8-14)13-5-9-20(21,22)10-6-13/h2-4,13-14H,5-12H2,1H3,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair