Found 92 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120038
(2-{[2-({6-[1-(1-Carboxy-2-phosphono-ethylcarbamoyl...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C27H30F2N7O16P3/c1-36-19-7-12(21(38)30-16(8-53(44,45)46)22(39)32-18(24(42)43)10-55(50,51)52)3-5-14(19)35-26(36)27(28,29)25-33-13-4-2-11(6-15(13)34-25)20(37)31-17(23(40)41)9-54(47,48)49/h2-7,16-18H,8-10H2,1H3,(H,30,38)(H,31,37)(H,32,39)(H,33,34)(H,40,41)(H,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120023
(2-[(2-{[6-(1-Carboxy-2-phosphono-ethylcarbamoyl)-1...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H24F2N6O12P2/c1-32-17-7-11(19(34)28-16(21(37)38)9-46(42,43)44)3-5-13(17)31-23(32)24(25,26)22-29-12-4-2-10(6-14(12)30-22)18(33)27-15(20(35)36)8-45(39,40)41/h2-7,15-16H,8-9H2,1H3,(H,27,33)(H,28,34)(H,29,30)(H,35,36)(H,37,38)(H2,39,40,41)(H2,42,43,44) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120050
(2-({2-[6-(1-Carboxy-2-phosphono-ethylcarbamoyl)-1-...)Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(=O)NC(CP(O)(O)=O)C(O)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H26N6O12P2/c1-30-18-7-12(22(32)29-17(24(35)36)10-44(40,41)42)3-5-14(18)27-20(30)8-19-25-13-4-2-11(6-15(13)26-19)21(31)28-16(23(33)34)9-43(37,38)39/h2-7,16-17H,8-10H2,1H3,(H,25,26)(H,28,31)(H,29,32)(H,33,34)(H,35,36)(H2,37,38,39)(H2,40,41,42) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120012
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-cyclopropylm...)Show SMILES OC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc(Cc3nc4ccccc4[nH]3)n(CC3CC3)c2c1 Show InChI InChI=1S/C23H24N5O6P/c29-22(27-18(23(30)31)12-35(32,33)34)14-7-8-17-19(9-14)28(11-13-5-6-13)21(26-17)10-20-24-15-3-1-2-4-16(15)25-20/h1-4,7-9,13,18H,5-6,10-12H2,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120036
(2-{[2-(5-Hydroxy-1H-benzoimidazol-2-ylmethyl)-3-me...)Show SMILES Cn1c(Cc2nc3ccc(O)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H20N5O7P/c1-25-16-6-10(19(27)24-15(20(28)29)9-33(30,31)32)2-4-13(16)23-18(25)8-17-21-12-5-3-11(26)7-14(12)22-17/h2-7,15,26H,8-9H2,1H3,(H,21,22)(H,24,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120048
(2-{[2-(5-Methoxy-1H-benzoimidazol-2-ylmethyl)-3-me...)Show SMILES COc1ccc2nc(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)[nH]c2c1 Show InChI InChI=1S/C21H22N5O7P/c1-26-17-7-11(20(27)25-16(21(28)29)10-34(30,31)32)3-5-14(17)24-19(26)9-18-22-13-6-4-12(33-2)8-15(13)23-18/h3-8,16H,9-10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50103860
(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...)Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120027
(2-{[3-Methyl-2-(5,6,7-trifluoro-1H-benzoimidazol-2...)Show SMILES Cn1c(Cc2nc3c(F)c(F)c(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H17F3N5O6P/c1-28-13-4-8(19(29)26-12(20(30)31)7-35(32,33)34)2-3-10(13)25-15(28)6-14-24-11-5-9(21)16(22)17(23)18(11)27-14/h2-5,12H,6-7H2,1H3,(H,24,27)(H,26,29)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120014
(2-{[2-(5,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...)Show SMILES Cn1c(Cc2nc3cc(F)c(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-16-4-9(19(28)26-15(20(29)30)8-34(31,32)33)2-3-12(16)25-18(27)7-17-23-13-5-10(21)11(22)6-14(13)24-17/h2-6,15H,7-8H2,1H3,(H,23,24)(H,26,28)(H,29,30)(H2,31,32,33) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120015
(2-({2-[1-(1H-Benzoimidazol-2-yl)-ethyl]-3-methyl-3...)Show SMILES CC(c1nc2ccccc2[nH]1)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H22N5O6P/c1-11(18-22-13-5-3-4-6-14(13)23-18)19-24-15-8-7-12(9-17(15)26(19)2)20(27)25-16(21(28)29)10-33(30,31)32/h3-9,11,16H,10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120013
(2-{[2-(4,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...)Show SMILES Cn1c(Cc2nc3c(F)cc(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-15-4-9(19(28)25-14(20(29)30)8-34(31,32)33)2-3-12(15)24-17(27)7-16-23-13-6-10(21)5-11(22)18(13)26-16/h2-6,14H,7-8H2,1H3,(H,23,26)(H,25,28)(H,29,30)(H2,31,32,33) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120047
(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=1S/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
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120046
(2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]-3-...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H18F2N5O6P/c1-27-15-8-10(16(28)23-14(17(29)30)9-34(31,32)33)6-7-13(15)26-19(27)20(21,22)18-24-11-4-2-3-5-12(11)25-18/h2-8,14H,9H2,1H3,(H,23,28)(H,24,25)(H,29,30)(H2,31,32,33) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120020
(2-{[2-(4,5-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...)Show SMILES Cn1c(Cc2nc3ccc(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-14-6-9(19(28)25-13(20(29)30)8-34(31,32)33)2-4-11(14)24-16(27)7-15-23-12-5-3-10(21)17(22)18(12)26-15/h2-6,13H,7-8H2,1H3,(H,23,26)(H,25,28)(H,29,30)(H2,31,32,33) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120033
(2-[(2-{Difluoro-[6-(1-methoxycarbonyl-2-phosphono-...)Show SMILES COC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc([nH]c2c1)C(F)(F)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(=O)OC Show InChI InChI=1S/C26H28F2N6O12P2/c1-34-19-9-13(21(36)30-18(23(38)46-3)11-48(42,43)44)5-7-15(19)33-25(34)26(27,28)24-31-14-6-4-12(8-16(14)32-24)20(35)29-17(22(37)45-2)10-47(39,40)41/h4-9,17-18H,10-11H2,1-3H3,(H,29,35)(H,30,36)(H,31,32)(H2,39,40,41)(H2,42,43,44) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 277 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120016
(2-{[2-(5-Fluoro-1H-benzoimidazol-2-ylmethyl)-3-met...)Show SMILES Cn1c(Cc2nc3ccc(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H19FN5O6P/c1-26-16-6-10(19(27)25-15(20(28)29)9-33(30,31)32)2-4-13(16)24-18(26)8-17-22-12-5-3-11(21)7-14(12)23-17/h2-7,15H,8-9H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120019
(2-{[3-Methyl-2-(4,6,7-trifluoro-1H-benzoimidazol-2...)Show SMILES Cn1c(Cc2nc3c(F)cc(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H17F3N5O6P/c1-28-13-4-8(19(29)25-12(20(30)31)7-35(32,33)34)2-3-11(13)24-15(28)6-14-26-17-10(22)5-9(21)16(23)18(17)27-14/h2-5,12H,6-7H2,1H3,(H,25,29)(H,26,27)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120031
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-isobutyl-3H-...)Show SMILES CC(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C23H26N5O6P/c1-13(2)11-28-19-9-14(22(29)27-18(23(30)31)12-35(32,33)34)7-8-17(19)26-21(28)10-20-24-15-5-3-4-6-16(15)25-20/h3-9,13,18H,10-12H2,1-2H3,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120035
(2-{[2-(5-Chloro-1H-benzoimidazol-2-ylmethyl)-3-met...)Show SMILES Cn1c(Cc2nc3ccc(Cl)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H19ClN5O6P/c1-26-16-6-10(19(27)25-15(20(28)29)9-33(30,31)32)2-4-13(16)24-18(26)8-17-22-12-5-3-11(21)7-14(12)23-17/h2-7,15H,8-9H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120034
(2-{[3-Methyl-2-(5-trifluoromethyl-1H-benzoimidazol...)Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(F)(F)F)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H19F3N5O6P/c1-29-16-6-10(19(30)28-15(20(31)32)9-36(33,34)35)2-4-13(16)27-18(29)8-17-25-12-5-3-11(21(22,23)24)7-14(12)26-17/h2-7,15H,8-9H2,1H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120051
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-methyl-3H-be...)Show SMILES Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H20N5O6P/c1-25-16-8-11(19(26)24-15(20(27)28)10-32(29,30)31)6-7-14(16)23-18(25)9-17-21-12-4-2-3-5-13(12)22-17/h2-8,15H,9-10H2,1H3,(H,21,22)(H,24,26)(H,27,28)(H2,29,30,31) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120052
(2-({2-[(1H-Benzoimidazol-2-yl)-fluoro-methyl]-3-me...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H19FN5O6P/c1-26-15-8-10(19(27)25-14(20(28)29)9-33(30,31)32)6-7-13(15)24-18(26)16(21)17-22-11-4-2-3-5-12(11)23-17/h2-8,14,16H,9H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120042
(2-{[2-(4-Methoxy-1H-benzoimidazol-2-ylmethyl)-3-me...)Show SMILES COc1cccc2[nH]c(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc12 Show InChI InChI=1S/C21H22N5O7P/c1-26-15-8-11(20(27)24-14(21(28)29)10-34(30,31)32)6-7-12(15)23-18(26)9-17-22-13-4-3-5-16(33-2)19(13)25-17/h3-8,14H,9-10H2,1-2H3,(H,22,25)(H,24,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120030
(2-({2-[Fluoro-(4,6,7-trifluoro-1H-benzoimidazol-2-...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)c(F)c2[nH]1 Show InChI InChI=1S/C20H16F4N5O6P/c1-29-12-4-7(19(30)26-11(20(31)32)6-36(33,34)35)2-3-10(12)25-18(29)14(24)17-27-15-9(22)5-8(21)13(23)16(15)28-17/h2-5,11,14H,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
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120045
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-(2,2-dimethy...)Show SMILES CC(C)(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H28N5O6P/c1-24(2,3)13-29-19-10-14(22(30)28-18(23(31)32)12-36(33,34)35)8-9-17(19)27-21(29)11-20-25-15-6-4-5-7-16(15)26-20/h4-10,18H,11-13H2,1-3H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120037
(2-({2-[(4,6-Difluoro-1H-benzoimidazol-2-yl)-fluoro...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)cc2[nH]1 Show InChI InChI=1S/C20H17F3N5O6P/c1-28-14-4-8(19(29)26-13(20(30)31)7-35(32,33)34)2-3-11(14)25-18(28)15(23)17-24-12-6-9(21)5-10(22)16(12)27-17/h2-6,13,15H,7H2,1H3,(H,24,27)(H,26,29)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120026
(2-[2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H24F2N6O10P2/c1-31-17-8-11(6-7-14(17)30-22(31)23(24,25)21-28-12-4-2-3-5-13(12)29-21)18(32)26-15(9-42(36,37)38)19(33)27-16(20(34)35)10-43(39,40)41/h2-8,15-16H,9-10H2,1H3,(H,26,32)(H,27,33)(H,28,29)(H,34,35)(H2,36,37,38)(H2,39,40,41) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120028
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-(3-methyl-bu...)Show SMILES CC(C)CCn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H28N5O6P/c1-14(2)9-10-29-20-11-15(23(30)28-19(24(31)32)13-36(33,34)35)7-8-18(20)27-22(29)12-21-25-16-5-3-4-6-17(16)26-21/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120038
(2-{[2-({6-[1-(1-Carboxy-2-phosphono-ethylcarbamoyl...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C27H30F2N7O16P3/c1-36-19-7-12(21(38)30-16(8-53(44,45)46)22(39)32-18(24(42)43)10-55(50,51)52)3-5-14(19)35-26(36)27(28,29)25-33-13-4-2-11(6-15(13)34-25)20(37)31-17(23(40)41)9-54(47,48)49/h2-7,16-18H,8-10H2,1H3,(H,30,38)(H,31,37)(H,32,39)(H,33,34)(H,40,41)(H,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120046
(2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]-3-...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H18F2N5O6P/c1-27-15-8-10(16(28)23-14(17(29)30)9-34(31,32)33)6-7-13(15)26-19(27)20(21,22)18-24-11-4-2-3-5-12(11)25-18/h2-8,14H,9H2,1H3,(H,23,28)(H,24,25)(H,29,30)(H2,31,32,33) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120041
(2-({2-[1-(1H-Benzoimidazol-2-yl)-ethyl]-3-methyl-3...)Show SMILES CC(c1nc2ccccc2[nH]1)c1nc2cccc(C(=O)NC(CP(O)(O)=O)C(O)=O)c2n1C Show InChI InChI=1S/C21H22N5O6P/c1-11(18-22-13-7-3-4-8-14(13)23-18)19-24-15-9-5-6-12(17(15)26(19)2)20(27)25-16(21(28)29)10-33(30,31)32/h3-9,11,16H,10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120010
(2-({2-[Difluoro-(5-fluoro-1H-benzoimidazol-2-yl)-m...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(F)cc2[nH]1 Show InChI InChI=1S/C20H17F3N5O6P/c1-28-15-6-9(16(29)24-14(17(30)31)8-35(32,33)34)2-4-12(15)27-19(28)20(22,23)18-25-11-5-3-10(21)7-13(11)26-18/h2-7,14H,8H2,1H3,(H,24,29)(H,25,26)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120021
(2-{[2-(6-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...)Show SMILES COP(O)(=O)CC(NC(=O)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=O)n(C)c2c1)C(O)=O Show InChI InChI=1S/C22H23N6O7P/c1-28-17-8-12(21(30)27-16(22(31)32)10-36(33,34)35-2)4-6-14(17)26-19(28)9-18-24-13-5-3-11(20(23)29)7-15(13)25-18/h3-8,16H,9-10H2,1-2H3,(H2,23,29)(H,24,25)(H,27,30)(H,31,32)(H,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120011
(2-({2-[(5-Chloro-1H-benzoimidazol-2-yl)-difluoro-m...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(Cl)cc2[nH]1 Show InChI InChI=1S/C20H17ClF2N5O6P/c1-28-15-6-9(16(29)24-14(17(30)31)8-35(32,33)34)2-4-12(15)27-19(28)20(22,23)18-25-11-5-3-10(21)7-13(11)26-18/h2-7,14H,8H2,1H3,(H,24,29)(H,25,26)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120029
(2-({2-[Difluoro-(4,6,7-trifluoro-1H-benzoimidazol-...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2c(F)cc(F)c(F)c2[nH]1 Show InChI InChI=1S/C20H15F5N5O6P/c1-30-12-4-7(16(31)26-11(17(32)33)6-37(34,35)36)2-3-10(12)27-19(30)20(24,25)18-28-14-9(22)5-8(21)13(23)15(14)29-18/h2-5,11H,6H2,1H3,(H,26,31)(H,28,29)(H,32,33)(H2,34,35,36) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120008
(2-{[3-Methyl-2-(1-methyl-1H-benzoimidazol-2-ylmeth...)Show SMILES Cn1c(Cc2nc3ccc(cc3n2C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc2ccccc12 Show InChI InChI=1S/C21H22N5O6P/c1-25-16-6-4-3-5-13(16)22-18(25)10-19-23-14-8-7-12(9-17(14)26(19)2)20(27)24-15(21(28)29)11-33(30,31)32/h3-9,15H,10-11H2,1-2H3,(H,24,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120040
(2-({2-[(5,6-Difluoro-1H-benzoimidazol-2-yl)-difluo...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2cc(F)c(F)cc2[nH]1 Show InChI InChI=1S/C20H16F4N5O6P/c1-29-15-4-8(16(30)25-14(17(31)32)7-36(33,34)35)2-3-11(15)28-19(29)20(23,24)18-26-12-5-9(21)10(22)6-13(12)27-18/h2-6,14H,7H2,1H3,(H,25,30)(H,26,27)(H,31,32)(H2,33,34,35) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120043
(2-{[3-Methyl-2-(4-methyl-1H-benzoimidazol-2-ylmeth...)Show SMILES Cc1cccc2[nH]c(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc12 Show InChI InChI=1S/C21H22N5O6P/c1-11-4-3-5-14-19(11)25-17(22-14)9-18-23-13-7-6-12(8-16(13)26(18)2)20(27)24-15(21(28)29)10-33(30,31)32/h3-8,15H,9-10H2,1-2H3,(H,22,25)(H,24,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120025
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-isopropyl-3H...)Show SMILES CC(C)n1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C22H24N5O6P/c1-12(2)27-18-9-13(21(28)26-17(22(29)30)11-34(31,32)33)7-8-16(18)25-20(27)10-19-23-14-5-3-4-6-15(14)24-19/h3-9,12,17H,10-11H2,1-2H3,(H,23,24)(H,26,28)(H,29,30)(H2,31,32,33) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120029
(2-({2-[Difluoro-(4,6,7-trifluoro-1H-benzoimidazol-...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2c(F)cc(F)c(F)c2[nH]1 Show InChI InChI=1S/C20H15F5N5O6P/c1-30-12-4-7(16(31)26-11(17(32)33)6-37(34,35)36)2-3-10(12)27-19(30)20(24,25)18-28-14-9(22)5-8(21)13(23)15(14)29-18/h2-5,11H,6H2,1H3,(H,26,31)(H,28,29)(H,32,33)(H2,34,35,36) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120023
(2-[(2-{[6-(1-Carboxy-2-phosphono-ethylcarbamoyl)-1...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H24F2N6O12P2/c1-32-17-7-11(19(34)28-16(21(37)38)9-46(42,43)44)3-5-13(17)31-23(32)24(25,26)22-29-12-4-2-10(6-14(12)30-22)18(33)27-15(20(35)36)8-45(39,40)41/h2-7,15-16H,8-9H2,1H3,(H,27,33)(H,28,34)(H,29,30)(H,35,36)(H,37,38)(H2,39,40,41)(H2,42,43,44) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120040
(2-({2-[(5,6-Difluoro-1H-benzoimidazol-2-yl)-difluo...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2cc(F)c(F)cc2[nH]1 Show InChI InChI=1S/C20H16F4N5O6P/c1-29-15-4-8(16(30)25-14(17(31)32)7-36(33,34)35)2-3-11(15)28-19(29)20(23,24)18-26-12-5-9(21)10(22)6-13(12)27-18/h2-6,14H,7H2,1H3,(H,25,30)(H,26,27)(H,31,32)(H2,33,34,35) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120018
(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+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120026
(2-[2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H24F2N6O10P2/c1-31-17-8-11(6-7-14(17)30-22(31)23(24,25)21-28-12-4-2-3-5-13(12)29-21)18(32)26-15(9-42(36,37)38)19(33)27-16(20(34)35)10-43(39,40)41/h2-8,15-16H,9-10H2,1H3,(H,26,32)(H,27,33)(H,28,29)(H,34,35)(H2,36,37,38)(H2,39,40,41) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120027
(2-{[3-Methyl-2-(5,6,7-trifluoro-1H-benzoimidazol-2...)Show SMILES Cn1c(Cc2nc3c(F)c(F)c(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H17F3N5O6P/c1-28-13-4-8(19(29)26-12(20(30)31)7-35(32,33)34)2-3-10(13)25-15(28)6-14-24-11-5-9(21)16(22)17(23)18(11)27-14/h2-5,12H,6-7H2,1H3,(H,24,27)(H,26,29)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120039
(2-({2-[Difluoro-(4-methyl-1H-benzoimidazol-2-yl)-m...)Show SMILES Cc1cccc2[nH]c(nc12)C(F)(F)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H20F2N5O6P/c1-10-4-3-5-13-16(10)27-19(25-13)21(22,23)20-26-12-7-6-11(8-15(12)28(20)2)17(29)24-14(18(30)31)9-35(32,33)34/h3-8,14H,9H2,1-2H3,(H,24,29)(H,25,27)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120050
(2-({2-[6-(1-Carboxy-2-phosphono-ethylcarbamoyl)-1-...)Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(=O)NC(CP(O)(O)=O)C(O)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H26N6O12P2/c1-30-18-7-12(22(32)29-17(24(35)36)10-44(40,41)42)3-5-14(18)27-20(30)8-19-25-13-4-2-11(6-15(13)26-19)21(31)28-16(23(33)34)9-43(37,38)39/h2-7,16-17H,8-10H2,1H3,(H,25,26)(H,28,31)(H,29,32)(H,33,34)(H,35,36)(H2,37,38,39)(H2,40,41,42) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120019
(2-{[3-Methyl-2-(4,6,7-trifluoro-1H-benzoimidazol-2...)Show SMILES Cn1c(Cc2nc3c(F)cc(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H17F3N5O6P/c1-28-13-4-8(19(29)25-12(20(30)31)7-35(32,33)34)2-3-11(13)24-15(28)6-14-26-17-10(22)5-9(21)16(23)18(17)27-14/h2-5,12H,6-7H2,1H3,(H,25,29)(H,26,27)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120042
(2-{[2-(4-Methoxy-1H-benzoimidazol-2-ylmethyl)-3-me...)Show SMILES COc1cccc2[nH]c(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc12 Show InChI InChI=1S/C21H22N5O7P/c1-26-15-8-11(20(27)24-14(21(28)29)10-34(30,31)32)6-7-12(15)23-18(26)9-17-22-13-4-3-5-16(33-2)19(13)25-17/h3-8,14H,9-10H2,1-2H3,(H,22,25)(H,24,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120014
(2-{[2-(5,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...)Show SMILES Cn1c(Cc2nc3cc(F)c(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-16-4-9(19(28)26-15(20(29)30)8-34(31,32)33)2-3-12(16)25-18(27)7-17-23-13-5-10(21)11(22)6-14(13)24-17/h2-6,15H,7-8H2,1H3,(H,23,24)(H,26,28)(H,29,30)(H2,31,32,33) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120032
(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+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120044
(3-(Bis-benzoyloxy-phosphoryl)-2-{[2-({6-[2-(bis-be...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(=O)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(=O)NC(CP(=O)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C52H40F2N6O16P2/c1-60-41-27-35(43(62)56-40(45(65)66)29-78(72,75-48(69)32-18-10-4-11-19-32)76-49(70)33-20-12-5-13-21-33)23-25-37(41)59-51(60)52(53,54)50-57-36-24-22-34(26-38(36)58-50)42(61)55-39(44(63)64)28-77(71,73-46(67)30-14-6-2-7-15-30)74-47(68)31-16-8-3-9-17-31/h2-27,39-40H,28-29H2,1H3,(H,55,61)(H,56,62)(H,57,58)(H,63,64)(H,65,66) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120024
(2-{[2-(Acetylamino-methyl)-3-methyl-3H-benzoimidaz...)Show SMILES CC(=O)NCc1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C15H19N4O7P/c1-8(20)16-6-13-17-10-4-3-9(5-12(10)19(13)2)14(21)18-11(15(22)23)7-27(24,25)26/h3-5,11H,6-7H2,1-2H3,(H,16,20)(H,18,21)(H,22,23)(H2,24,25,26) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120033
(2-[(2-{Difluoro-[6-(1-methoxycarbonyl-2-phosphono-...)Show SMILES COC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc([nH]c2c1)C(F)(F)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(=O)OC Show InChI InChI=1S/C26H28F2N6O12P2/c1-34-19-9-13(21(36)30-18(23(38)46-3)11-48(42,43)44)5-7-15(19)33-25(34)26(27,28)24-31-14-6-4-12(8-16(14)32-24)20(35)29-17(22(37)45-2)10-47(39,40)41/h4-9,17-18H,10-11H2,1-3H3,(H,29,35)(H,30,36)(H,31,32)(H2,39,40,41)(H2,42,43,44) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120052
(2-({2-[(1H-Benzoimidazol-2-yl)-fluoro-methyl]-3-me...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H19FN5O6P/c1-26-15-8-10(19(27)25-14(20(28)29)9-33(30,31)32)6-7-13(15)24-18(26)16(21)17-22-11-4-2-3-5-12(11)23-17/h2-8,14,16H,9H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120011
(2-({2-[(5-Chloro-1H-benzoimidazol-2-yl)-difluoro-m...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(Cl)cc2[nH]1 Show InChI InChI=1S/C20H17ClF2N5O6P/c1-28-15-6-9(16(29)24-14(17(30)31)8-35(32,33)34)2-4-12(15)27-19(28)20(22,23)18-25-11-5-3-10(21)7-13(11)26-18/h2-7,14H,8H2,1H3,(H,24,29)(H,25,26)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120021
(2-{[2-(6-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...)Show SMILES COP(O)(=O)CC(NC(=O)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=O)n(C)c2c1)C(O)=O Show InChI InChI=1S/C22H23N6O7P/c1-28-17-8-12(21(30)27-16(22(31)32)10-36(33,34)35-2)4-6-14(17)26-19(28)9-18-24-13-5-3-11(20(23)29)7-15(13)25-18/h3-8,16H,9-10H2,1-2H3,(H2,23,29)(H,24,25)(H,27,30)(H,31,32)(H,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120010
(2-({2-[Difluoro-(5-fluoro-1H-benzoimidazol-2-yl)-m...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(F)cc2[nH]1 Show InChI InChI=1S/C20H17F3N5O6P/c1-28-15-6-9(16(29)24-14(17(30)31)8-35(32,33)34)2-4-12(15)27-19(28)20(22,23)18-25-11-5-3-10(21)7-13(11)26-18/h2-7,14H,8H2,1H3,(H,24,29)(H,25,26)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120013
(2-{[2-(4,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...)Show SMILES Cn1c(Cc2nc3c(F)cc(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-15-4-9(19(28)25-14(20(29)30)8-34(31,32)33)2-3-12(15)24-17(27)7-16-23-13-6-10(21)5-11(22)18(13)26-16/h2-6,14H,7-8H2,1H3,(H,23,26)(H,25,28)(H,29,30)(H2,31,32,33) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120039
(2-({2-[Difluoro-(4-methyl-1H-benzoimidazol-2-yl)-m...)Show SMILES Cc1cccc2[nH]c(nc12)C(F)(F)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H20F2N5O6P/c1-10-4-3-5-13-16(10)27-19(25-13)21(22,23)20-26-12-7-6-11(8-15(12)28(20)2)17(29)24-14(18(30)31)9-35(32,33)34/h3-8,14H,9H2,1-2H3,(H,24,29)(H,25,27)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120009
(CHEMBL318353 | {[2-(6-Carbamoyl-1H-benzoimidazol-2...)Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NCC(O)=O Show InChI InChI=1S/C20H18N6O4/c1-26-15-7-11(20(30)22-9-18(27)28)3-5-13(15)25-17(26)8-16-23-12-4-2-10(19(21)29)6-14(12)24-16/h2-7H,8-9H2,1H3,(H2,21,29)(H,22,30)(H,23,24)(H,27,28) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120034
(2-{[3-Methyl-2-(5-trifluoromethyl-1H-benzoimidazol...)Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(F)(F)F)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H19F3N5O6P/c1-29-16-6-10(19(30)28-15(20(31)32)9-36(33,34)35)2-4-13(16)27-18(29)8-17-25-12-5-3-11(21(22,23)24)7-14(12)26-17/h2-7,15H,8-9H2,1H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120030
(2-({2-[Fluoro-(4,6,7-trifluoro-1H-benzoimidazol-2-...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)c(F)c2[nH]1 Show InChI InChI=1S/C20H16F4N5O6P/c1-29-12-4-7(19(30)26-11(20(31)32)6-36(33,34)35)2-3-10(12)25-18(29)14(24)17-27-15-9(22)5-8(21)13(23)16(15)28-17/h2-5,11,14H,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
| 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120017
(2-({2-[1-(1H-Imidazol-2-yl)-ethyl]-3-methyl-3H-ben...)Show SMILES CC(c1ncc[nH]1)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C17H20N5O6P/c1-9(14-18-5-6-19-14)15-20-11-4-3-10(7-13(11)22(15)2)16(23)21-12(17(24)25)8-29(26,27)28/h3-7,9,12H,8H2,1-2H3,(H,18,19)(H,21,23)(H,24,25)(H2,26,27,28) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120037
(2-({2-[(4,6-Difluoro-1H-benzoimidazol-2-yl)-fluoro...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)cc2[nH]1 Show InChI InChI=1S/C20H17F3N5O6P/c1-28-14-4-8(19(29)26-13(20(30)31)7-35(32,33)34)2-3-11(14)25-18(28)15(23)17-24-12-6-9(21)5-10(22)16(12)27-17/h2-6,13,15H,7H2,1H3,(H,24,27)(H,26,29)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120016
(2-{[2-(5-Fluoro-1H-benzoimidazol-2-ylmethyl)-3-met...)Show SMILES Cn1c(Cc2nc3ccc(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H19FN5O6P/c1-26-16-6-10(19(27)25-15(20(28)29)9-33(30,31)32)2-4-13(16)24-18(26)8-17-22-12-5-3-11(21)7-14(12)23-17/h2-7,15H,8-9H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120047
(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=1S/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
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120017
(2-({2-[1-(1H-Imidazol-2-yl)-ethyl]-3-methyl-3H-ben...)Show SMILES CC(c1ncc[nH]1)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C17H20N5O6P/c1-9(14-18-5-6-19-14)15-20-11-4-3-10(7-13(11)22(15)2)16(23)21-12(17(24)25)8-29(26,27)28/h3-7,9,12H,8H2,1-2H3,(H,18,19)(H,21,23)(H,24,25)(H2,26,27,28) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120035
(2-{[2-(5-Chloro-1H-benzoimidazol-2-ylmethyl)-3-met...)Show SMILES Cn1c(Cc2nc3ccc(Cl)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H19ClN5O6P/c1-26-16-6-10(19(27)25-15(20(28)29)9-33(30,31)32)2-4-13(16)24-18(26)8-17-22-12-5-3-11(21)7-14(12)23-17/h2-7,15H,8-9H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120008
(2-{[3-Methyl-2-(1-methyl-1H-benzoimidazol-2-ylmeth...)Show SMILES Cn1c(Cc2nc3ccc(cc3n2C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc2ccccc12 Show InChI InChI=1S/C21H22N5O6P/c1-25-16-6-4-3-5-13(16)22-18(25)10-19-23-14-8-7-12(9-17(14)26(19)2)20(27)24-15(21(28)29)11-33(30,31)32/h3-9,15H,10-11H2,1-2H3,(H,24,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120020
(2-{[2-(4,5-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...)Show SMILES Cn1c(Cc2nc3ccc(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-14-6-9(19(28)25-13(20(29)30)8-34(31,32)33)2-4-11(14)24-16(27)7-15-23-12-5-3-10(21)17(22)18(12)26-15/h2-6,13H,7-8H2,1H3,(H,23,26)(H,25,28)(H,29,30)(H2,31,32,33) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120012
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-cyclopropylm...)Show SMILES OC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc(Cc3nc4ccccc4[nH]3)n(CC3CC3)c2c1 Show InChI InChI=1S/C23H24N5O6P/c29-22(27-18(23(30)31)12-35(32,33)34)14-7-8-17-19(9-14)28(11-13-5-6-13)21(26-17)10-20-24-15-3-1-2-4-16(15)25-20/h1-4,7-9,13,18H,5-6,10-12H2,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120024
(2-{[2-(Acetylamino-methyl)-3-methyl-3H-benzoimidaz...)Show SMILES CC(=O)NCc1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C15H19N4O7P/c1-8(20)16-6-13-17-10-4-3-9(5-12(10)19(13)2)14(21)18-11(15(22)23)7-27(24,25)26/h3-5,11H,6-7H2,1-2H3,(H,16,20)(H,18,21)(H,22,23)(H2,24,25,26) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50103860
(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...)Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120041
(2-({2-[1-(1H-Benzoimidazol-2-yl)-ethyl]-3-methyl-3...)Show SMILES CC(c1nc2ccccc2[nH]1)c1nc2cccc(C(=O)NC(CP(O)(O)=O)C(O)=O)c2n1C Show InChI InChI=1S/C21H22N5O6P/c1-11(18-22-13-7-3-4-8-14(13)23-18)19-24-15-9-5-6-12(17(15)26(19)2)20(27)25-16(21(28)29)10-33(30,31)32/h3-9,11,16H,10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.81E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120048
(2-{[2-(5-Methoxy-1H-benzoimidazol-2-ylmethyl)-3-me...)Show SMILES COc1ccc2nc(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)[nH]c2c1 Show InChI InChI=1S/C21H22N5O7P/c1-26-17-7-11(20(27)25-16(21(28)29)10-34(30,31)32)3-5-14(17)24-19(26)9-18-22-13-6-4-12(33-2)8-15(13)23-18/h3-8,16H,9-10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.87E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120015
(2-({2-[1-(1H-Benzoimidazol-2-yl)-ethyl]-3-methyl-3...)Show SMILES CC(c1nc2ccccc2[nH]1)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H22N5O6P/c1-11(18-22-13-5-3-4-6-14(13)23-18)19-24-15-8-7-12(9-17(15)26(19)2)20(27)25-16(21(28)29)10-33(30,31)32/h3-9,11,16H,10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120036
(2-{[2-(5-Hydroxy-1H-benzoimidazol-2-ylmethyl)-3-me...)Show SMILES Cn1c(Cc2nc3ccc(O)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H20N5O7P/c1-25-16-6-10(19(27)24-15(20(28)29)9-33(30,31)32)2-4-13(16)23-18(25)8-17-21-12-5-3-11(26)7-14(12)22-17/h2-7,15,26H,8-9H2,1H3,(H,21,22)(H,24,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120022
(3-{2-[1-(6-Carbamoyl-1H-benzoimidazol-2-yl)-ethyl]...)Show SMILES CC(c1nc2ccc(cc2[nH]1)C(N)=O)c1nc2cc(ccc2n1C)C(=O)C(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C22H22N5O7P/c1-10(20-24-14-5-3-12(19(23)29)8-15(14)25-20)21-26-16-7-11(4-6-17(16)27(21)2)18(28)13(22(30)31)9-35(32,33)34/h3-8,10,13H,9H2,1-2H3,(H2,23,29)(H,24,25)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120043
(2-{[3-Methyl-2-(4-methyl-1H-benzoimidazol-2-ylmeth...)Show SMILES Cc1cccc2[nH]c(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc12 Show InChI InChI=1S/C21H22N5O6P/c1-11-4-3-5-14-19(11)25-17(22-14)9-18-23-13-7-6-12(8-16(13)26(18)2)20(27)24-15(21(28)29)10-33(30,31)32/h3-8,15H,9-10H2,1-2H3,(H,22,25)(H,24,27)(H,28,29)(H2,30,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120022
(3-{2-[1-(6-Carbamoyl-1H-benzoimidazol-2-yl)-ethyl]...)Show SMILES CC(c1nc2ccc(cc2[nH]1)C(N)=O)c1nc2cc(ccc2n1C)C(=O)C(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C22H22N5O7P/c1-10(20-24-14-5-3-12(19(23)29)8-15(14)25-20)21-26-16-7-11(4-6-17(16)27(21)2)18(28)13(22(30)31)9-35(32,33)34/h3-8,10,13H,9H2,1-2H3,(H2,23,29)(H,24,25)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120051
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-methyl-3H-be...)Show SMILES Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H20N5O6P/c1-25-16-8-11(19(26)24-15(20(27)28)10-32(29,30)31)6-7-14(16)23-18(25)9-17-21-12-4-2-3-5-13(12)22-17/h2-8,15H,9-10H2,1H3,(H,21,22)(H,24,26)(H,27,28)(H2,29,30,31) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120045
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-(2,2-dimethy...)Show SMILES CC(C)(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H28N5O6P/c1-24(2,3)13-29-19-10-14(22(30)28-18(23(31)32)12-36(33,34)35)8-9-17(19)27-21(29)11-20-25-15-6-4-5-7-16(15)26-20/h4-10,18H,11-13H2,1-3H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120028
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-(3-methyl-bu...)Show SMILES CC(C)CCn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C24H28N5O6P/c1-14(2)9-10-29-20-11-15(23(30)28-19(24(31)32)13-36(33,34)35)7-8-18(20)27-22(29)12-21-25-16-5-3-4-6-17(16)26-21/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120009
(CHEMBL318353 | {[2-(6-Carbamoyl-1H-benzoimidazol-2...)Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NCC(O)=O Show InChI InChI=1S/C20H18N6O4/c1-26-15-7-11(20(30)22-9-18(27)28)3-5-13(15)25-17(26)8-16-23-12-4-2-10(19(21)29)6-14(12)24-16/h2-7H,8-9H2,1H3,(H2,21,29)(H,22,30)(H,23,24)(H,27,28) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50120031
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-isobutyl-3H-...)Show SMILES CC(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C23H26N5O6P/c1-13(2)11-28-19-9-14(22(29)27-18(23(30)31)12-35(32,33)34)7-8-17(19)26-21(28)10-20-24-15-5-3-4-6-16(15)25-20/h3-9,13,18H,10-12H2,1-2H3,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120025
(2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-isopropyl-3H...)Show SMILES CC(C)n1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C22H24N5O6P/c1-12(2)27-18-9-13(21(28)26-17(22(29)30)11-34(31,32)33)7-8-16(18)25-20(27)10-19-23-14-5-3-4-6-15(14)24-19/h3-9,12,17H,10-11H2,1-2H3,(H,23,24)(H,26,28)(H,29,30)(H2,31,32,33) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50120044
(3-(Bis-benzoyloxy-phosphoryl)-2-{[2-({6-[2-(bis-be...)Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(=O)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(=O)NC(CP(=O)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C52H40F2N6O16P2/c1-60-41-27-35(43(62)56-40(45(65)66)29-78(72,75-48(69)32-18-10-4-11-19-32)76-49(70)33-20-12-5-13-21-33)23-25-37(41)59-51(60)52(53,54)50-57-36-24-22-34(26-38(36)58-50)42(61)55-39(44(63)64)28-77(71,73-46(67)30-14-6-2-7-15-30)74-47(68)31-16-8-3-9-17-31/h2-27,39-40H,28-29H2,1H3,(H,55,61)(H,56,62)(H,57,58)(H,63,64)(H,65,66) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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