Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM138328'   

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 (Mus musculus)	BDBM138328 (US8877944, 32) Show SMILES CC(C)n1cc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c2ccccc12 Show InChI InChI=1S/C26H30N4O2/c1-17(2)29-16-19(21-7-3-4-9-23(21)29)14-28-12-10-20(11-13-28)30-15-18-6-5-8-22(25(27)31)24(18)26(30)32/h3-9,16-17,20H,10-15H2,1-2H3,(H2,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	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 US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138328 (US8877944, 32) Show SMILES CC(C)n1cc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c2ccccc12 Show InChI InChI=1S/C26H30N4O2/c1-17(2)29-16-19(21-7-3-4-9-23(21)29)14-28-12-10-20(11-13-28)30-15-18-6-5-8-22(25(27)31)24(18)26(30)32/h3-9,16-17,20H,10-15H2,1-2H3,(H2,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair