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PubMed code 11527730

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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


(Hepatitis C virus)		BDBM50103860
PNG
(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)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103862
PNG
(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CCCCCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C25H29N6O7P/c1-31-20-12-15(24(33)30-18(25(34)35)5-3-2-4-10-39(36,37)38)7-9-17(20)29-22(31)13-21-27-16-8-6-14(23(26)32)11-19(16)28-21/h6-9,11-12,18H,2-5,10,13H2,1H3,(H2,26,32)(H,27,28)(H,30,33)(H,34,35)(H2,36,37,38)
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n/an/a 510n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103861
PNG
(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CCCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C23H25N6O7P/c1-29-18-10-13(22(31)28-16(23(32)33)3-2-8-37(34,35)36)5-7-15(18)27-20(29)11-19-25-14-6-4-12(21(24)30)9-17(14)26-19/h4-7,9-10,16H,2-3,8,11H2,1H3,(H2,24,30)(H,25,26)(H,28,31)(H,32,33)(H2,34,35,36)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103871
PNG
(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C22H23N6O7P/c1-28-17-9-12(21(30)27-15(22(31)32)6-7-36(33,34)35)3-5-14(17)26-19(28)10-18-24-13-4-2-11(20(23)29)8-16(13)25-18/h2-5,8-9,15H,6-7,10H2,1H3,(H2,23,29)(H,24,25)(H,27,30)(H,31,32)(H2,33,34,35)
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n/an/a 870n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103854
PNG
(2-(3-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)Nc1cc(cc(c1)C(=O)NC(CC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C30H25N7O9/c1-37-22-10-14(3-5-19(22)35-24(37)12-23-33-18-4-2-13(26(31)40)9-20(18)34-23)27(41)32-17-7-15(6-16(8-17)29(43)44)28(42)36-21(30(45)46)11-25(38)39/h2-10,21H,11-12H2,1H3,(H2,31,40)(H,32,41)(H,33,34)(H,36,42)(H,38,39)(H,43,44)(H,45,46)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103858
PNG
(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(Cc1ccc(OCC(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C29H26N6O7/c1-35-23-12-17(28(39)34-22(29(40)41)10-15-2-6-18(7-3-15)42-14-26(36)37)5-9-20(23)33-25(35)13-24-31-19-8-4-16(27(30)38)11-21(19)32-24/h2-9,11-12,22H,10,13-14H2,1H3,(H2,30,38)(H,31,32)(H,34,39)(H,36,37)(H,40,41)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103870
PNG
(2-(3-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CC(=O)NS(=O)(=O)c1ccccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C29H25N7O9S/c1-36-21-11-15(7-9-18(21)33-24(36)13-23-31-17-8-6-14(26(30)38)10-19(17)32-23)27(39)34-20(29(42)43)12-25(37)35-46(44,45)22-5-3-2-4-16(22)28(40)41/h2-11,20H,12-13H2,1H3,(H2,30,38)(H,31,32)(H,34,39)(H,35,37)(H,40,41)(H,42,43)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103855
PNG
(2-(3-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)Nc1cc(cc(c1)C(=O)NC(CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H27N7O9/c1-38-23-12-15(3-5-20(23)36-25(38)13-24-34-19-4-2-14(27(32)41)11-22(19)35-24)28(42)33-18-9-16(8-17(10-18)30(44)45)29(43)37-21(31(46)47)6-7-26(39)40/h2-5,8-12,21H,6-7,13H2,1H3,(H2,32,41)(H,33,42)(H,34,35)(H,37,43)(H,39,40)(H,44,45)(H,46,47)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103853
PNG
(2-(4-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CCC(=O)NS(=O)(=O)c1ccccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C30H27N7O9S/c1-37-22-13-16(7-9-19(22)34-25(37)14-24-32-18-8-6-15(27(31)39)12-21(18)33-24)28(40)35-20(30(43)44)10-11-26(38)36-47(45,46)23-5-3-2-4-17(23)29(41)42/h2-9,12-13,20H,10-11,14H2,1H3,(H2,31,39)(H,32,33)(H,35,40)(H,36,38)(H,41,42)(H,43,44)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103857
PNG
(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CC(C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H22N6O8/c1-30-17-7-11(21(32)29-16(24(37)38)8-12(22(33)34)23(35)36)3-5-14(17)28-19(30)9-18-26-13-4-2-10(20(25)31)6-15(13)27-18/h2-7,12,16H,8-9H2,1H3,(H2,25,31)(H,26,27)(H,29,32)(H,33,34)(H,35,36)(H,37,38)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103873
PNG
(2-(3-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-methyl-3H...)
Show SMILES Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CC(=O)NS(=O)(=O)c1ccccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C28H24N6O8S/c1-34-21-12-15(10-11-19(21)31-24(34)14-23-29-17-7-3-4-8-18(17)30-23)26(36)32-20(28(39)40)13-25(35)33-43(41,42)22-9-5-2-6-16(22)27(37)38/h2-12,20H,13-14H2,1H3,(H,29,30)(H,32,36)(H,33,35)(H,37,38)(H,39,40)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103859
PNG
(5-(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(Cc1ccc(OCC(O)=O)c(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C30H26N6O9/c1-36-22-11-16(4-6-19(22)34-25(36)12-24-32-18-5-3-15(27(31)39)10-20(18)33-24)28(40)35-21(30(43)44)9-14-2-7-23(45-13-26(37)38)17(8-14)29(41)42/h2-8,10-11,21H,9,12-13H2,1H3,(H2,31,39)(H,32,33)(H,35,40)(H,37,38)(H,41,42)(H,43,44)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103851
PNG
(2-(3-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)Nc1cccc(c1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C30H27N7O7/c1-37-23-13-17(6-8-20(23)35-25(37)14-24-33-19-7-5-15(27(31)40)12-22(19)34-24)28(41)32-18-4-2-3-16(11-18)29(42)36-21(30(43)44)9-10-26(38)39/h2-8,11-13,21H,9-10,14H2,1H3,(H2,31,40)(H,32,41)(H,33,34)(H,36,42)(H,38,39)(H,43,44)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103868
PNG
(5-(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(Cc1ccc(O)c(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C28H24N6O7/c1-34-21-11-15(26(37)33-20(28(40)41)9-13-2-7-22(35)16(8-13)27(38)39)4-6-18(21)32-24(34)12-23-30-17-5-3-14(25(29)36)10-19(17)31-23/h2-8,10-11,20,35H,9,12H2,1H3,(H2,29,36)(H,30,31)(H,33,37)(H,38,39)(H,40,41)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103863
PNG
(4-(Bis-carboxymethyl-carbamoyl)-2-{[2-(5-carbamoyl...)
Show SMILES Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CCC(=O)N(CC(O)=O)CC(O)=O)C(O)=O
Show InChI InChI=1S/C26H26N6O8/c1-31-19-10-14(6-7-17(19)29-21(31)11-20-27-15-4-2-3-5-16(15)28-20)25(38)30-18(26(39)40)8-9-22(33)32(12-23(34)35)13-24(36)37/h2-7,10,18H,8-9,11-13H2,1H3,(H,27,28)(H,30,38)(H,34,35)(H,36,37)(H,39,40)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103856
PNG
(2-(3-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)NC(=O)CC(NC(=O)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=O)n(C)c2c1)C(O)=O
Show InChI InChI=1S/C30H27N7O9S/c1-37-22-12-16(8-10-19(22)34-25(37)14-24-32-18-9-7-15(27(31)39)11-20(18)33-24)28(40)35-21(29(41)42)13-26(38)36-47(44,45)23-6-4-3-5-17(23)30(43)46-2/h3-12,21H,13-14H2,1-2H3,(H2,31,39)(H,32,33)(H,35,40)(H,36,38)(H,41,42)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103850
PNG
(4-(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(Cc1ccc(C(O)=O)c(OCC(O)=O)c1)C(O)=O
Show InChI InChI=1S/C30H26N6O9/c1-36-22-11-16(4-7-19(22)34-25(36)12-24-32-18-6-3-15(27(31)39)10-20(18)33-24)28(40)35-21(30(43)44)8-14-2-5-17(29(41)42)23(9-14)45-13-26(37)38/h2-7,9-11,21H,8,12-13H2,1H3,(H2,31,39)(H,32,33)(H,35,40)(H,37,38)(H,41,42)(H,43,44)
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UniProtKB/TrEMBL

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n/an/a 9.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103864
PNG
(2-(3-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-methyl-3H...)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)NC(=O)CC(NC(=O)c1ccc2nc(Cc3nc4ccccc4[nH]3)n(C)c2c1)C(O)=O
Show InChI InChI=1S/C29H26N6O8S/c1-35-22-13-16(11-12-20(22)32-25(35)15-24-30-18-8-4-5-9-19(18)31-24)27(37)33-21(28(38)39)14-26(36)34-44(41,42)23-10-6-3-7-17(23)29(40)43-2/h3-13,21H,14-15H2,1-2H3,(H,30,31)(H,33,37)(H,34,36)(H,38,39)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103849
PNG
(2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-meth...)
Show SMILES Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NCCc1ccc(OCC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C33H30N6O5S/c1-39-29-19-23(13-16-28(29)37-31(39)20-30-35-26-9-5-6-10-27(26)36-30)33(41)34-18-17-22-11-14-24(15-12-22)44-21-32(40)38-45(42,43)25-7-3-2-4-8-25/h2-16,19H,17-18,20-21H2,1H3,(H,34,41)(H,35,36)(H,38,40)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103872
PNG
(2-(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(Cc1cc(OCC(O)=O)ccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C30H26N6O9/c1-36-23-11-15(3-7-20(23)34-25(36)12-24-32-19-6-2-14(27(31)39)9-21(19)33-24)28(40)35-22(30(43)44)10-16-8-17(45-13-26(37)38)4-5-18(16)29(41)42/h2-9,11,22H,10,12-13H2,1H3,(H2,31,39)(H,32,33)(H,35,40)(H,37,38)(H,41,42)(H,43,44)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103865
PNG
(CHEMBL306151 | [4-(2-{[2-(5-Carbamoyl-1H-benzoimid...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NCCc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C28H26N6O5/c1-34-23-13-18(28(38)30-11-10-16-2-6-19(7-3-16)39-15-26(35)36)5-9-21(23)33-25(34)14-24-31-20-8-4-17(27(29)37)12-22(20)32-24/h2-9,12-13H,10-11,14-15H2,1H3,(H2,29,37)(H,30,38)(H,31,32)(H,35,36)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103866
PNG
(2-(4-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C30H27N7O7/c1-37-23-13-17(5-9-20(23)35-25(37)14-24-33-19-8-4-16(27(31)40)12-22(19)34-24)29(42)32-18-6-2-15(3-7-18)28(41)36-21(30(43)44)10-11-26(38)39/h2-9,12-13,21H,10-11,14H2,1H3,(H2,31,40)(H,32,42)(H,33,34)(H,36,41)(H,38,39)(H,43,44)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103867
PNG
(3-(2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(Cc1cccc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C28H24N6O6/c1-34-22-12-16(26(36)33-21(28(39)40)10-14-3-2-4-17(9-14)27(37)38)6-8-19(22)32-24(34)13-23-30-18-7-5-15(25(29)35)11-20(18)31-23/h2-9,11-12,21H,10,13H2,1H3,(H2,29,35)(H,30,31)(H,33,36)(H,37,38)(H,39,40)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103852
PNG
(2-(4-((S)-Benzyloxycarbonyl)-4-{[2-(5-carbamoyl-1H...)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)NC(=O)CC[C@H](NC(=O)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=O)n(C)c2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H35N7O9S/c1-45-30-19-24(13-15-27(30)42-33(45)20-32-40-26-14-12-23(35(39)47)18-29(26)41-32)36(48)43-28(38(50)54-21-22-8-4-3-5-9-22)16-17-34(46)44-55(51,52)31-11-7-6-10-25(31)37(49)53-2/h3-15,18-19,28H,16-17,20-21H2,1-2H3,(H2,39,47)(H,40,41)(H,43,48)(H,44,46)/t28-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103869
PNG
(2-((S)-3-Benzyloxycarbonyl-3-{[2-(5-carbamoyl-1H-b...)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)NC(=O)C[C@H](NC(=O)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=O)n(C)c2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H33N7O9S/c1-44-29-17-23(13-15-26(29)41-32(44)19-31-39-25-14-12-22(34(38)46)16-27(25)40-31)35(47)42-28(37(49)53-20-21-8-4-3-5-9-21)18-33(45)43-54(50,51)30-11-7-6-10-24(30)36(48)52-2/h3-17,28H,18-20H2,1-2H3,(H2,38,46)(H,39,40)(H,42,47)(H,43,45)/t28-/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103874
PNG
(4-(3-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)Nc1cccc(c1)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C29H27N7O5/c1-36-23-14-18(29(41)32-19-5-2-4-17(12-19)28(40)31-11-3-6-26(37)38)8-10-21(23)35-25(36)15-24-33-20-9-7-16(27(30)39)13-22(20)34-24/h2,4-5,7-10,12-14H,3,6,11,15H2,1H3,(H2,30,39)(H,31,40)(H,32,41)(H,33,34)(H,37,38)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50103860
PNG
(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)
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n/an/a 1.67E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hepatitis C virus (HCV) NS3 protease in the absence of Zn2+

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%