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BDBM50137963 (1R,2S)-1-((3R,5S)-1-((S)-2-((S)-2-acetamido-2-cyclohexylacetamido)-3-methylbutanoyl)-3-(quinolin-4-yloxy)pyrrolidine-5-carboxamido)-2-vinylcyclopropanecarboxylic acid::1-{[(R)-(S)-1-[(S)-2-((S)-2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid::CHEMBL175190

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(O)=O)Oc1ccnc2ccccc12

InChI Key: InChIKey=OCBNGZLUZDGZCF-SSPMZZGBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50137963   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50137963
PNG
((1R,2S)-1-((3R,5S)-1-((S)-2-((S)-2-acetamido-2-cyc...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(O)=O)Oc1ccnc2ccccc12
Show InChI InChI=1S/C35H45N5O7/c1-5-23-18-35(23,34(45)46)39-31(42)27-17-24(47-28-15-16-36-26-14-10-9-13-25(26)28)19-40(27)33(44)29(20(2)3)38-32(43)30(37-21(4)41)22-11-7-6-8-12-22/h5,9-10,13-16,20,22-24,27,29-30H,1,6-8,11-12,17-19H2,2-4H3,(H,37,41)(H,38,43)(H,39,42)(H,45,46)/t23-,24-,27+,29+,30+,35-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus NS3 protease


J Med Chem 47: 123-32 (2003)


Article DOI: 10.1021/jm0303002
BindingDB Entry DOI: 10.7270/Q2Q52P2S
More data for this
Ligand-Target Pair