Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM138313'   

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)	BDBM138313 (US8877944, 17) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(F)cc4F)CC3)C(=O)c12 Show InChI InChI=1S/C21H21F2N3O2/c22-15-5-4-13(18(23)10-15)11-25-8-6-16(7-9-25)26-12-14-2-1-3-17(20(24)27)19(14)21(26)28/h1-5,10,16H,6-9,11-12H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.77E+3	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)	BDBM138313 (US8877944, 17) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(F)cc4F)CC3)C(=O)c12 Show InChI InChI=1S/C21H21F2N3O2/c22-15-5-4-13(18(23)10-15)11-25-8-6-16(7-9-25)26-12-14-2-1-3-17(20(24)27)19(14)21(26)28/h1-5,10,16H,6-9,11-12H2,(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	<30	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