BDBM50171301 (S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1*3,7*]docosa-1(20),3(22),4,6,17(21),18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid::CHEMBL189159

SMILES CCC[C@H](NC(=O)[C@@H]1Cc2cccc(Oc3ccc(CCC(=O)N[C@@H](C4CCCCC4)C(=O)N1)cc3)c2)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1

InChI Key InChIKey=UTTMIGDMZIRTMX-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50171301   

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50171301((S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-o...)
Affinity DataKi:  110nMAssay Description:Ability to inhibit the hydrolysis of chromogenic 4-phenylazophenyl ester from the peptide fragment Ac- DTEDVVP(Nva)-O-4-PAP in a HCV protease continu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50171301((S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-o...)
Affinity DataKi:  2.90E+3nMAssay Description:Binding constant towards Human neutrophil elastase HNE proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed