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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50120018   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM50120018
PNG
(2-{[3-Methyl-2-(4,5,6,7-tetrafluoro-1H-benzoimidaz...)
Show SMILES Cn1c(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C20H16F4N5O6P/c1-29-10-4-7(19(30)26-9(20(31)32)6-36(33,34)35)2-3-8(10)25-12(29)5-11-27-17-15(23)13(21)14(22)16(24)18(17)28-11/h2-4,9H,5-6H2,1H3,(H,26,30)(H,27,28)(H,31,32)(H2,33,34,35)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
280n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of HCV serine protease NS3/NS4A in the presence of Zn


Bioorg Med Chem Lett 12: 3129-33 (2002)


BindingDB Entry DOI: 10.7270/Q25D8R64
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)
BDBM50120018
PNG
(2-{[3-Methyl-2-(4,5,6,7-tetrafluoro-1H-benzoimidaz...)
Show SMILES Cn1c(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C20H16F4N5O6P/c1-29-10-4-7(19(30)26-9(20(31)32)6-36(33,34)35)2-3-8(10)25-12(29)5-11-27-17-15(23)13(21)14(22)16(24)18(17)28-11/h2-4,9H,5-6H2,1H3,(H,26,30)(H,27,28)(H,31,32)(H2,33,34,35)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.70E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.


Bioorg Med Chem Lett 12: 3129-33 (2002)


BindingDB Entry DOI: 10.7270/Q25D8R64
More data for this
Ligand-Target Pair