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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50120049   
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)
BDBM50120049
PNG
(2-({2-[(6-Carbamoyl-1H-benzoimidazol-2-yl)-difluor...)
Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H19F2N6O7P/c1-29-15-7-10(17(31)25-14(18(32)33)8-37(34,35)36)3-5-12(15)28-20(29)21(22,23)19-26-11-4-2-9(16(24)30)6-13(11)27-19/h2-7,14H,8H2,1H3,(H2,24,30)(H,25,31)(H,26,27)(H,32,33)(H2,34,35,36)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.20E+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)
BDBM50120049
PNG
(2-({2-[(6-Carbamoyl-1H-benzoimidazol-2-yl)-difluor...)
Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H19F2N6O7P/c1-29-15-7-10(17(31)25-14(18(32)33)8-37(34,35)36)3-5-12(15)28-20(29)21(22,23)19-26-11-4-2-9(16(24)30)6-13(11)27-19/h2-7,14H,8H2,1H3,(H2,24,30)(H,25,31)(H,26,27)(H,32,33)(H2,34,35,36)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.40E+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 Zn


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


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