Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM138336'   

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)	BDBM138336 (US8877944, 40) Show SMILES CCOc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1 Show InChI InChI=1S/C23H27N3O3/c1-2-29-19-7-3-5-16(13-19)14-25-11-9-18(10-12-25)26-15-17-6-4-8-20(22(24)27)21(17)23(26)28/h3-8,13,18H,2,9-12,14-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	620	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)	BDBM138336 (US8877944, 40) Show SMILES CCOc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1 Show InChI InChI=1S/C23H27N3O3/c1-2-29-19-7-3-5-16(13-19)14-25-11-9-18(10-12-25)26-15-17-6-4-8-20(22(24)27)21(17)23(26)28/h3-8,13,18H,2,9-12,14-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	110	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