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SMILES: Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)C#CC#Cc1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)c1ccccc1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50547648   
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
Nonstructural protein 5A


(Hepatitis C virus)
BDBM50547648
PNG
(CHEMBL4800349)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)C#CC#Cc1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)c1ccccc1 |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HCV genotype 5a NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by bright Glo-luci...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115716
BindingDB Entry DOI: 10.7270/Q29K4FTX
More data for this
Ligand-Target Pair
Nonstructural protein 5A


(Hepatitis C virus)
BDBM50547648
PNG
(CHEMBL4800349)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)C#CC#Cc1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)c1ccccc1 |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10.7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HCV genotype 3a NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by bright Glo-luci...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115716
BindingDB Entry DOI: 10.7270/Q29K4FTX
More data for this
Ligand-Target Pair
Nonstructural protein 5A


(Hepatitis C virus)
BDBM50547648
PNG
(CHEMBL4800349)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)C#CC#Cc1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)c1ccccc1 |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.431n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HCV genotype 2a NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by bright Glo-luci...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115716
BindingDB Entry DOI: 10.7270/Q29K4FTX
More data for this
Ligand-Target Pair
Nonstructural protein 5A


(Hepatitis C virus)
BDBM50547648
PNG
(CHEMBL4800349)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)C#CC#Cc1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)c1ccccc1 |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.758n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HCV genotype 1a NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by bright Glo-luci...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115716
BindingDB Entry DOI: 10.7270/Q29K4FTX
More data for this
Ligand-Target Pair
Nonstructural protein 5A


(Hepatitis C virus)
BDBM50547648
PNG
(CHEMBL4800349)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)C#CC#Cc1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)c1ccccc1 |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HCV genotype 1b NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by Celltiter Glo a...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115716
BindingDB Entry DOI: 10.7270/Q29K4FTX
More data for this
Ligand-Target Pair
Nonstructural protein 5A


(Hepatitis C virus)
BDBM50547648
PNG
(CHEMBL4800349)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)C#CC#Cc1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)c1ccccc1 |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.423n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HCV genotype 4a NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by bright Glo-luci...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115716
BindingDB Entry DOI: 10.7270/Q29K4FTX
More data for this
Ligand-Target Pair