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SMILES: Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1-c1cccc(c1)-c1ccccc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

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 = 50547634   
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)
BDBM50547634
PNG
(CHEMBL4747100)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1-c1cccc(c1)-c1ccccc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.763n/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)
BDBM50547634
PNG
(CHEMBL4747100)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1-c1cccc(c1)-c1ccccc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.79n/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)
BDBM50547634
PNG
(CHEMBL4747100)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1-c1cccc(c1)-c1ccccc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.449n/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)
BDBM50547634
PNG
(CHEMBL4747100)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1-c1cccc(c1)-c1ccccc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.470n/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)
BDBM50547634
PNG
(CHEMBL4747100)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1-c1cccc(c1)-c1ccccc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00100n/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)
BDBM50547634
PNG
(CHEMBL4747100)
Show SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1-c1cccc(c1)-c1ccccc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0190n/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