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BDBM50120047 2-{[3-Methyl-2-(5-methyl-1H-benzoimidazol-2-ylmethyl)-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid::CHEMBL108265

SMILES: Cc1ccc2nc(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)[nH]c2c1

InChI Key: InChIKey=WOXDRIMKYIYZMA-UHFFFAOYNA-N

Data: 2 KI

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 2 hits for monomerid = 50120047   
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
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50120047
PNG
(2-{[3-Methyl-2-(5-methyl-1H-benzoimidazol-2-ylmeth...)
Show SMILES Cc1ccc2nc(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)[nH]c2c1
Show InChI InChI=1/C21H22N5O6P/c1-11-3-5-13-15(7-11)23-18(22-13)9-19-24-14-6-4-12(8-17(14)26(19)2)20(27)25-16(21(28)29)10-33(30,31)32/h3-8,16H,9-10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)
PDB

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
240n/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)


Article DOI: 10.1016/s0960-894x(02)00680-7
BindingDB Entry DOI: 10.7270/Q25D8R64
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50120047
PNG
(2-{[3-Methyl-2-(5-methyl-1H-benzoimidazol-2-ylmeth...)
Show SMILES Cc1ccc2nc(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)[nH]c2c1
Show InChI InChI=1/C21H22N5O6P/c1-11-3-5-13-15(7-11)23-18(22-13)9-19-24-14-6-4-12(8-17(14)26(19)2)20(27)25-16(21(28)29)10-33(30,31)32/h3-8,16H,9-10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)
PDB

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.80E+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)


Article DOI: 10.1016/s0960-894x(02)00680-7
BindingDB Entry DOI: 10.7270/Q25D8R64
More data for this
Ligand-Target Pair