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SMILES: COc1ccc2nc(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C\[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)OC3(C)CCCC3)c(nc2c1)C(F)(F)F

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50573902   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)
BDBM50573902
PNG
(CHEMBL4860811)
Show SMILES COc1ccc2nc(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C\[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)OC3(C)CCCC3)c(nc2c1)C(F)(F)F |r,t:23|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HCV GT-1a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate addition


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00554
BindingDB Entry DOI: 10.7270/Q2377DH9
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)
BDBM50573902
PNG
(CHEMBL4860811)
Show SMILES COc1ccc2nc(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C\[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)OC3(C)CCCC3)c(nc2c1)C(F)(F)F |r,t:23|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
161n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HCV GT-3a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate addition


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00554
BindingDB Entry DOI: 10.7270/Q2377DH9
More data for this
Ligand-Target Pair