Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM21649'   

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
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM21649 ((2S)-3-(1H-indol-3-yl)-2-[(2R,3R)-3-(4-phenylpheny...) Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H28N2O3S/c1-18(19-11-13-21(14-12-19)20-7-3-2-4-8-20)24(17-34)27(31)30-26(28(32)33)15-22-16-29-25-10-6-5-9-23(22)25/h2-14,16,18,24,26,29,34H,15,17H2,1H3,(H,30,31)(H,32,33)/t18-,24+,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	-52.4	n/a	n/a	n/a	n/a	n/a	7.4	37
CNRS					Assay Description NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
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