Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM138329'   

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)	BDBM138329 (US8877944, 33) Show SMILES Cn1cc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cn1 Show InChI InChI=1S/C19H23N5O2/c1-22-10-13(9-21-22)11-23-7-5-15(6-8-23)24-12-14-3-2-4-16(18(20)25)17(14)19(24)26/h2-4,9-10,15H,5-8,11-12H2,1H3,(H2,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+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
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