BDBM50142916 (1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-18-[2-(2-isopropylamino-thiazol-4-yl)-7-methoxy-quinolin-4-yloxy]-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.0*4,6*]nonadec-7-ene-4-carboxylic acid::(1S,4R,6S,14S,18R)-14-cyclopentyloxycarbonylamino-18-[2-(2-isopropylamino-thiazol-4-yl)-7-methoxy-quinolin-4-yloxy]-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.4,6]nonadec-7-ene-4-carboxylic acid::(2R,6S,13aS,14aR,16aS,Z)-6-(cyclopentyloxycarbonylamino)-2-(2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yloxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxylic acid::(Z)-(1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-18-[2-(2-isopropylamino-thiazol-4-yl)-7-methoxy-quinolin-4-yloxy]-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid::BILN 2061::CHEMBL297884

SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1

InChI Key InChIKey=PJZPDFUUXKKDNB-KNINVFKUSA-N

Data  8 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50142916   

TargetGenome polyprotein(Hepatitis C virus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50142916((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Affinity DataKi:  0.0890nMAssay Description:Inhibition of HCV genotype-1a NS3 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C virus)
Uppsala University

LigandPNGBDBM50142916((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Affinity DataKi:  0.120nMAssay Description:Analysis of the inhibition activation of flNS3 by the inhibitors was performed with the standard assay, allowing the inhibitor to preincubate with NS...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C virus)
TBA

Curated by ChEMBL
LigandPNGBDBM50142916((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Affinity DataKi:  0.300nMAssay Description:Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C virus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50142916((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Affinity DataKi:  0.300nMAssay Description:Inhibition of HCV 1a NS3 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C virus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50142916((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Affinity DataKi:  20nMAssay Description:Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C Virus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50142916((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Affinity DataKi:  24nMAssay Description:Inhibition of full-length HCV NS3 protease R155K mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C Virus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50142916((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Affinity DataKi:  120nMAssay Description:Inhibition of full-length HCV NS3 protease A156T mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50142916((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Affinity DataKi:  200nMAssay Description:Inhibition of full-length HCV NS3 protease D168V mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C virus)
TBA

Curated by ChEMBL
LigandPNGBDBM50142916((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C virus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50142916((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibitory concentration against hepatitis C virus NS3 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed