BindingDB logo
myBDB logout

PubMed code 12643923

Compile data set for download or QSAR
Found 22 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 (HCV))		BDBM50125376
PNG
(CHEMBL275290 | {(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C33H49F2N7O8/c1-5-19(4)27(42-30(47)22(13-18(2)3)40-31(48)24-16-36-11-12-37-24)32(49)41-23(14-20-9-7-6-8-10-20)29(46)39-21(15-25(34)35)28(45)33(50)38-17-26(43)44/h11-12,16,18-23,25,27H,5-10,13-15,17H2,1-4H3,(H,38,50)(H,39,46)(H,40,48)(H,41,49)(H,42,47)(H,43,44)/t19-,21-,22-,23-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 60n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125388
PNG
(CHEMBL13256 | {(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C33H51N7O8/c1-6-20(5)27(40-30(45)23(15-19(3)4)38-31(46)25-17-34-13-14-35-25)32(47)39-24(16-21-11-9-8-10-12-21)29(44)37-22(7-2)28(43)33(48)36-18-26(41)42/h13-14,17,19-24,27H,6-12,15-16,18H2,1-5H3,(H,36,48)(H,37,44)(H,38,46)(H,39,47)(H,40,45)(H,41,42)/t20-,22-,23-,24-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 230n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125392
PNG
((S)-4-((S)-1-{(S)-1-[(S)-2-((S)-1-Allylaminooxalyl...)
Show SMILES CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C32H51N7O11/c1-7-13-34-31(49)26(44)19(8-2)35-29(47)21-10-9-14-39(21)32(50)25(17(5)6)38-30(48)24(16(3)4)37-28(46)20(11-12-22(40)41)36-27(45)18(33)15-23(42)43/h7,16-21,24-25H,1,8-15,33H2,2-6H3,(H,34,49)(H,35,47)(H,36,45)(H,37,46)(H,38,48)(H,40,41)(H,42,43)/t18-,19-,20-,21-,24-,25-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 420n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125371
PNG
((S)-2-{(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)-3-methyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C34H53N7O8/c1-7-20(5)27(41-30(44)24(16-19(3)4)39-31(45)26-18-35-14-15-36-26)32(46)40-25(17-22-12-10-9-11-13-22)29(43)38-23(8-2)28(42)33(47)37-21(6)34(48)49/h14-15,18-25,27H,7-13,16-17H2,1-6H3,(H,37,47)(H,38,43)(H,39,45)(H,40,46)(H,41,44)(H,48,49)/t20-,21-,23-,24-,25-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125378
PNG
(CHEMBL274547 | Pyrazine-2-carboxylic acid ((S)-1-{...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC#C
Show InChI InChI=1S/C34H51N7O6/c1-7-15-37-34(47)29(42)24(9-3)38-30(43)26(19-23-13-11-10-12-14-23)40-33(46)28(22(6)8-2)41-31(44)25(18-21(4)5)39-32(45)27-20-35-16-17-36-27/h1,16-17,20-26,28H,8-15,18-19H2,2-6H3,(H,37,47)(H,38,43)(H,39,45)(H,40,46)(H,41,44)/t22-,24-,25-,26-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125385
PNG
(CHEMBL13370 | Pyrazine-2-carboxylic acid ((S)-1-{(...)
Show SMILES CCNC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)[C@@H](C)CC
Show InChI InChI=1S/C33H53N7O6/c1-7-21(6)27(40-30(43)24(17-20(4)5)38-31(44)26-19-34-15-16-36-26)32(45)39-25(18-22-13-11-10-12-14-22)29(42)37-23(8-2)28(41)33(46)35-9-3/h15-16,19-25,27H,7-14,17-18H2,1-6H3,(H,35,46)(H,37,42)(H,38,44)(H,39,45)(H,40,43)/t21-,23-,24-,25-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125372
PNG
(CHEMBL13514 | Pyrazine-2-carboxylic acid ((S)-1-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C34H53N7O6/c1-6-21(5)28(41-31(44)25(17-20(3)4)39-32(45)27-19-35-15-16-36-27)33(46)40-26(18-22-11-9-8-10-12-22)30(43)38-24(7-2)29(42)34(47)37-23-13-14-23/h15-16,19-26,28H,6-14,17-18H2,1-5H3,(H,37,47)(H,38,43)(H,39,45)(H,40,46)(H,41,44)/t21-,24-,25-,26-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125383
PNG
(CHEMBL265345 | Pyrazine-2-carboxylic acid ((S)-1-{...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C34H53N7O6/c1-7-15-37-34(47)29(42)24(9-3)38-30(43)26(19-23-13-11-10-12-14-23)40-33(46)28(22(6)8-2)41-31(44)25(18-21(4)5)39-32(45)27-20-35-16-17-36-27/h7,16-17,20-26,28H,1,8-15,18-19H2,2-6H3,(H,37,47)(H,38,43)(H,39,45)(H,40,46)(H,41,44)/t22-,24-,25-,26-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125374
PNG
((S)-2-{(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)-3-methyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C36H57N7O8/c1-8-22(7)29(43-32(46)25(17-20(3)4)40-33(47)27-19-37-15-16-38-27)34(48)41-26(18-23-13-11-10-12-14-23)31(45)39-24(9-2)30(44)35(49)42-28(21(5)6)36(50)51/h15-16,19-26,28-29H,8-14,17-18H2,1-7H3,(H,39,45)(H,40,47)(H,41,48)(H,42,49)(H,43,46)(H,50,51)/t22-,24-,25-,26-,28-,29-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125380
PNG
(CHEMBL276488 | Pyrazine-2-carboxylic acid [(S)-1-(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C33H52N8O7/c1-6-20(5)27(41-30(45)23(15-19(3)4)39-31(46)25-17-35-13-14-36-25)32(47)40-24(16-21-11-9-8-10-12-21)29(44)38-22(7-2)28(43)33(48)37-18-26(34)42/h13-14,17,19-24,27H,6-12,15-16,18H2,1-5H3,(H2,34,42)(H,37,48)(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t20-,22-,23-,24-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125381
PNG
((S)-2-{(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)-3-methyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C35H53N7O10/c1-6-20(5)28(42-31(47)23(15-19(3)4)39-32(48)26-18-36-13-14-37-26)33(49)40-24(16-21-11-9-8-10-12-21)30(46)38-22(7-2)29(45)34(50)41-25(35(51)52)17-27(43)44/h13-14,18-25,28H,6-12,15-17H2,1-5H3,(H,38,46)(H,39,48)(H,40,49)(H,41,50)(H,42,47)(H,43,44)(H,51,52)/t20-,22-,23-,24-,25-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125379
PNG
(CHEMBL264215 | {(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC(=O)OC
Show InChI InChI=1S/C34H53N7O8/c1-7-21(5)28(41-31(45)24(16-20(3)4)39-32(46)26-18-35-14-15-36-26)33(47)40-25(17-22-12-10-9-11-13-22)30(44)38-23(8-2)29(43)34(48)37-19-27(42)49-6/h14-15,18,20-25,28H,7-13,16-17,19H2,1-6H3,(H,37,48)(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t21-,23-,24-,25-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125373
PNG
((S)-6-Amino-2-{(S)-3-[(S)-3-cyclohexyl-2-((2S,3S)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C37H60N8O8/c1-6-23(5)30(45-33(48)27(19-22(3)4)43-34(49)29-21-39-17-18-40-29)35(50)44-28(20-24-13-9-8-10-14-24)32(47)41-25(7-2)31(46)36(51)42-26(37(52)53)15-11-12-16-38/h17-18,21-28,30H,6-16,19-20,38H2,1-5H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t23-,25-,26-,27-,28-,30-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125375
PNG
(CHEMBL13447 | Pyrazine-2-carboxylic acid ((S)-1-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H55N7O6/c1-6-25(5)32(45-35(48)29(20-24(3)4)43-36(49)31-23-39-18-19-40-31)37(50)44-30(21-26-14-10-8-11-15-26)34(47)42-28(7-2)33(46)38(51)41-22-27-16-12-9-13-17-27/h9,12-13,16-19,23-26,28-30,32H,6-8,10-11,14-15,20-22H2,1-5H3,(H,41,51)(H,42,47)(H,43,49)(H,44,50)(H,45,48)/t25-,28-,29-,30-,32-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125389
PNG
(3-{(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)-3-methyl-2-{...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCCC(O)=O
Show InChI InChI=1S/C34H53N7O8/c1-6-21(5)28(41-31(46)24(17-20(3)4)39-32(47)26-19-35-15-16-36-26)33(48)40-25(18-22-11-9-8-10-12-22)30(45)38-23(7-2)29(44)34(49)37-14-13-27(42)43/h15-16,19-25,28H,6-14,17-18H2,1-5H3,(H,37,49)(H,38,45)(H,39,47)(H,40,48)(H,41,46)(H,42,43)/t21-,23-,24-,25-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125387
PNG
(CHEMBL273701 | Pyrazine-2-carboxylic acid ((S)-1-{...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N1CCCC1
Show InChI InChI=1S/C35H55N7O6/c1-6-23(5)29(41-32(45)26(19-22(3)4)39-33(46)28-21-36-15-16-37-28)34(47)40-27(20-24-13-9-8-10-14-24)31(44)38-25(7-2)30(43)35(48)42-17-11-12-18-42/h15-16,21-27,29H,6-14,17-20H2,1-5H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t23-,25-,26-,27-,29-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125377
PNG
((R)-2-{(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)-3-methyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C34H53N7O8/c1-7-20(5)27(41-30(44)24(16-19(3)4)39-31(45)26-18-35-14-15-36-26)32(46)40-25(17-22-12-10-9-11-13-22)29(43)38-23(8-2)28(42)33(47)37-21(6)34(48)49/h14-15,18-25,27H,7-13,16-17H2,1-6H3,(H,37,47)(H,38,43)(H,39,45)(H,40,46)(H,41,44)(H,48,49)/t20-,21+,23-,24-,25-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125390
PNG
(CHEMBL266854 | {3-[(S)-3-Cyclohexyl-2-((2S,3S)-3-m...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C33H51N7O8/c1-7-20(4)26(39-28(44)22(15-19(2)3)37-29(45)24-17-34-13-14-35-24)31(47)38-23(16-21-11-9-8-10-12-21)30(46)40-33(5,6)27(43)32(48)36-18-25(41)42/h13-14,17,19-23,26H,7-12,15-16,18H2,1-6H3,(H,36,48)(H,37,45)(H,38,47)(H,39,44)(H,40,46)(H,41,42)/t20-,22-,23-,26-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125382
PNG
(CHEMBL13155 | Pyrazine-2-carboxylic acid ((S)-1-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C35H55N7O7/c1-6-23(5)29(41-32(45)26(19-22(3)4)39-33(46)28-21-36-13-14-37-28)34(47)40-27(20-24-11-9-8-10-12-24)31(44)38-25(7-2)30(43)35(48)42-15-17-49-18-16-42/h13-14,21-27,29H,6-12,15-20H2,1-5H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t23-,25-,26-,27-,29-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125386
PNG
(2-{(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)-3-methyl-2-{...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NC(C)(C)C(O)=O
Show InChI InChI=1S/C35H55N7O8/c1-8-21(5)27(41-30(45)24(17-20(3)4)39-31(46)26-19-36-15-16-37-26)32(47)40-25(18-22-13-11-10-12-14-22)29(44)38-23(9-2)28(43)33(48)42-35(6,7)34(49)50/h15-16,19-25,27H,8-14,17-18H2,1-7H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)(H,42,48)(H,49,50)/t21-,23-,24-,25-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125391
PNG
(({(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)-3-methyl-2-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N(C)CC(O)=O
Show InChI InChI=1S/C34H53N7O8/c1-7-21(5)28(40-31(46)24(16-20(3)4)38-32(47)26-18-35-14-15-36-26)33(48)39-25(17-22-12-10-9-11-13-22)30(45)37-23(8-2)29(44)34(49)41(6)19-27(42)43/h14-15,18,20-25,28H,7-13,16-17,19H2,1-6H3,(H,37,45)(H,38,47)(H,39,48)(H,40,46)(H,42,43)/t21-,23-,24-,25-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50125384
PNG
((2-{1-[(S)-3-Cyclohexyl-2-((2S,3S)-3-methyl-2-{(S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1(CC1)C(=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C33H49N7O8/c1-5-20(4)26(39-28(44)22(15-19(2)3)37-29(45)24-17-34-13-14-35-24)31(47)38-23(16-21-9-7-6-8-10-21)30(46)40-33(11-12-33)27(43)32(48)36-18-25(41)42/h13-14,17,19-23,26H,5-12,15-16,18H2,1-4H3,(H,36,48)(H,37,45)(H,38,47)(H,39,44)(H,40,46)(H,41,42)/t20-,22-,23-,26-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%