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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50120032   
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)
BDBM50120032
PNG
(2-({2-[(4,6-Difluoro-1H-benzoimidazol-2-yl)-difluo...)
Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2c(F)cc(F)cc2[nH]1
Show InChI InChI=1S/C20H16F4N5O6P/c1-29-14-4-8(16(30)25-13(17(31)32)7-36(33,34)35)2-3-11(14)27-19(29)20(23,24)18-26-12-6-9(21)5-10(22)15(12)28-18/h2-6,13H,7H2,1H3,(H,25,30)(H,26,28)(H,31,32)(H2,33,34,35)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.40E+3n/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)
BDBM50120032
PNG
(2-({2-[(4,6-Difluoro-1H-benzoimidazol-2-yl)-difluo...)
Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2c(F)cc(F)cc2[nH]1
Show InChI InChI=1S/C20H16F4N5O6P/c1-29-14-4-8(16(30)25-13(17(31)32)7-36(33,34)35)2-3-11(14)27-19(29)20(23,24)18-26-12-6-9(21)5-10(22)15(12)28-18/h2-6,13H,7H2,1H3,(H,25,30)(H,26,28)(H,31,32)(H2,33,34,35)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.50E+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