BindingDB logo
myBDB logout

PubMed code 15982872

Compile data set for download or QSAR
Found 24 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)		BDBM50169413
PNG
(CHEMBL188984 | Pyrazine-2-carboxylic acid {(S)-1-[...)
Show SMILES CCCCCC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)CNC(=O)C(=O)[C@H](CC(F)F)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/C41H61F2N11O10S2/c1-6-8-10-15-31(55)50-40-52-53-41(65-40)66(63,64)54-32(56)22-46-39(62)34(57)26(20-30(42)43)47-35(58)28(19-25-13-11-9-12-14-25)49-38(61)33(24(5)7-2)51-36(59)27(18-23(3)4)48-37(60)29-21-44-16-17-45-29/h16-17,21,23-28,30,33H,6-15,18-20,22H2,1-5H3,(H,46,62)(H,47,58)(H,48,60)(H,49,61)(H,51,59)(H,54,56)(H,50,52,55)/t24-,26-,27-,28-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169419
PNG
(CHEMBL189038 | 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(F)F)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1
Show InChI InChI=1S/C42H54ClF2N11O10S2/c1-5-23(4)33(52-37(61)28(17-22(2)3)50-38(62)30-20-46-15-16-47-30)39(63)51-29(18-24-9-7-6-8-10-24)36(60)49-27(19-31(44)45)34(58)40(64)48-21-32(57)56-68(65,66)42-55-54-41(67-42)53-35(59)25-11-13-26(43)14-12-25/h11-16,20,22-24,27-29,31,33H,5-10,17-19,21H2,1-4H3,(H,48,64)(H,49,60)(H,50,62)(H,51,63)(H,52,61)(H,56,57)(H,53,54,59)/t23-,27-,28-,29-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169403
PNG
(CHEMBL183074 | 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(F)F)C(=O)C(=O)NCc1nnn[nH]1
Show InChI InChI=1S/C33H49F2N11O6/c1-5-19(4)27(42-30(49)22(13-18(2)3)40-31(50)24-16-36-11-12-37-24)32(51)41-23(14-20-9-7-6-8-10-20)29(48)39-21(15-25(34)35)28(47)33(52)38-17-26-43-45-46-44-26/h11-12,16,18-23,25,27H,5-10,13-15,17H2,1-4H3,(H,38,52)(H,39,48)(H,40,50)(H,41,51)(H,42,49)(H,43,44,45,46)/t19-,21-,22-,23-,27-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169421
PNG
(CHEMBL424999 | 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(F)F)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cc(Cl)cc(c1)S(N)(=O)=O
Show InChI InChI=1S/C39H54ClF2N9O11S2/c1-5-22(4)33(50-36(55)28(13-21(2)3)48-37(56)30-19-44-11-12-45-30)38(57)49-29(14-23-9-7-6-8-10-23)35(54)47-27(18-31(41)42)34(53)39(58)46-20-32(52)51-64(61,62)26-16-24(40)15-25(17-26)63(43,59)60/h11-12,15-17,19,21-23,27-29,31,33H,5-10,13-14,18,20H2,1-4H3,(H,46,58)(H,47,54)(H,48,56)(H,49,57)(H,50,55)(H,51,52)(H2,43,59,60)/t22-,27-,28-,29-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169415
PNG
(CHEMBL188449 | 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(F)F)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C45H58F2N8O9S/c1-5-28(4)39(54-42(59)34(21-27(2)3)52-43(60)36-25-48-19-20-49-36)44(61)53-35(22-29-13-8-6-9-14-29)41(58)51-33(24-37(46)47)40(57)45(62)50-26-38(56)55-65(63,64)32-18-12-17-31(23-32)30-15-10-7-11-16-30/h7,10-12,15-20,23,25,27-29,33-35,37,39H,5-6,8-9,13-14,21-22,24,26H2,1-4H3,(H,50,62)(H,51,58)(H,52,60)(H,53,61)(H,54,59)(H,55,56)/t28-,33-,34-,35-,39-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169406
PNG
(CHEMBL407699 | 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(F)F)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cc(Cl)cc(c1)S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C46H58ClF2N9O12S2/c1-5-27(4)39(56-43(63)34(18-26(2)3)54-44(64)36-24-50-16-17-51-36)45(65)55-35(19-28-12-8-6-9-13-28)42(62)53-33(23-37(48)49)40(60)46(66)52-25-38(59)57-71(67,68)31-20-30(47)21-32(22-31)72(69,70)58-41(61)29-14-10-7-11-15-29/h7,10-11,14-17,20-22,24,26-28,33-35,37,39H,5-6,8-9,12-13,18-19,23,25H2,1-4H3,(H,52,66)(H,53,62)(H,54,64)(H,55,65)(H,56,63)(H,57,59)(H,58,61)/t27-,33-,34-,35-,39-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169407
PNG
(4-Chloro-3-(2-{(S)-3-[(S)-3-cyclohexyl-2-((S)-3-me...)
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)NS(=O)(=O)c1cc(ccc1Cl)C(O)=O
Show InChI InChI=1S/C40H55ClN8O11S/c1-6-23(5)33(48-36(53)28(17-22(3)4)46-37(54)30-20-42-15-16-43-30)38(55)47-29(18-24-11-9-8-10-12-24)35(52)45-27(7-2)34(51)39(56)44-21-32(50)49-61(59,60)31-19-25(40(57)58)13-14-26(31)41/h13-16,19-20,22-24,27-29,33H,6-12,17-18,21H2,1-5H3,(H,44,56)(H,45,52)(H,46,54)(H,47,55)(H,48,53)(H,49,50)(H,57,58)/t23-,27-,28-,29-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169404
PNG
(CHEMBL412198 | 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(=O)NS(=O)(=O)c1cc(Cl)cc(c1)S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C46H60ClN9O12S2/c1-6-28(5)39(54-43(61)35(20-27(3)4)52-44(62)37-25-48-18-19-49-37)45(63)53-36(21-29-14-10-8-11-15-29)42(60)51-34(7-2)40(58)46(64)50-26-38(57)55-69(65,66)32-22-31(47)23-33(24-32)70(67,68)56-41(59)30-16-12-9-13-17-30/h9,12-13,16-19,22-25,27-29,34-36,39H,6-8,10-11,14-15,20-21,26H2,1-5H3,(H,50,64)(H,51,60)(H,52,62)(H,53,63)(H,54,61)(H,55,57)(H,56,59)/t28-,34-,35-,36-,39-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169410
PNG
(CHEMBL187781 | 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(=O)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C39H54Cl2N8O9S/c1-6-23(5)33(48-36(53)29(15-22(3)4)46-37(54)31-20-42-13-14-43-31)38(55)47-30(16-24-11-9-8-10-12-24)35(52)45-28(7-2)34(51)39(56)44-21-32(50)49-59(57,58)27-18-25(40)17-26(41)19-27/h13-14,17-20,22-24,28-30,33H,6-12,15-16,21H2,1-5H3,(H,44,56)(H,45,52)(H,46,54)(H,47,55)(H,48,53)(H,49,50)/t23-,28-,29-,30-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169412
PNG
(CHEMBL185754 | {(S)-3-[(S)-3-Cyclohexyl-2-((S)-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)N[C@@H](CC)C(=O)C(=O)NCS(O)(=O)=O
Show InChI InChI=1S/C32H51N7O9S/c1-6-20(5)26(39-29(42)23(15-19(3)4)37-30(43)25-17-33-13-14-34-25)31(44)38-24(16-21-11-9-8-10-12-21)28(41)36-22(7-2)27(40)32(45)35-18-49(46,47)48/h13-14,17,19-24,26H,6-12,15-16,18H2,1-5H3,(H,35,45)(H,36,41)(H,37,43)(H,38,44)(H,39,42)(H,46,47,48)/t20-,22-,23-,24-,26-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169408
PNG
(CHEMBL188450 | 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(=O)NS(=O)(=O)c1nnc(NC(C)=O)s1
Show InChI InChI=1S/C37H55N11O10S2/c1-7-21(5)29(45-32(53)25(16-20(3)4)43-33(54)27-18-38-14-15-39-27)34(55)44-26(17-23-12-10-9-11-13-23)31(52)42-24(8-2)30(51)35(56)40-19-28(50)48-60(57,58)37-47-46-36(59-37)41-22(6)49/h14-15,18,20-21,23-26,29H,7-13,16-17,19H2,1-6H3,(H,40,56)(H,42,52)(H,43,54)(H,44,55)(H,45,53)(H,48,50)(H,41,46,49)/t21-,24-,25-,26-,29-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169420
PNG
(CHEMBL187517 | 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(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C39H55ClN8O9S/c1-6-24(5)33(47-36(52)29(18-23(3)4)45-37(53)31-21-41-16-17-42-31)38(54)46-30(19-25-12-9-8-10-13-25)35(51)44-28(7-2)34(50)39(55)43-22-32(49)48-58(56,57)27-15-11-14-26(40)20-27/h11,14-17,20-21,23-25,28-30,33H,6-10,12-13,18-19,22H2,1-5H3,(H,43,55)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t24-,28-,29-,30-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169411
PNG
(CHEMBL187493 | 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(=O)NS(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C39H55N9O11S/c1-6-24(5)33(46-36(52)29(18-23(3)4)44-37(53)31-21-40-16-17-41-31)38(54)45-30(19-25-12-9-8-10-13-25)35(51)43-28(7-2)34(50)39(55)42-22-32(49)47-60(58,59)27-15-11-14-26(20-27)48(56)57/h11,14-17,20-21,23-25,28-30,33H,6-10,12-13,18-19,22H2,1-5H3,(H,42,55)(H,43,51)(H,44,53)(H,45,54)(H,46,52)(H,47,49)/t24-,28-,29-,30-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169405
PNG
(CHEMBL187449 | 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)NCc1nnn[nH]1
Show InChI InChI=1S/C33H51N11O6/c1-6-20(5)27(40-30(47)23(15-19(3)4)38-31(48)25-17-34-13-14-35-25)32(49)39-24(16-21-11-9-8-10-12-21)29(46)37-22(7-2)28(45)33(50)36-18-26-41-43-44-42-26/h13-14,17,19-24,27H,6-12,15-16,18H2,1-5H3,(H,36,50)(H,37,46)(H,38,48)(H,39,49)(H,40,47)(H,41,42,43,44)/t20-,22-,23-,24-,27-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169416
PNG
(CHEMBL366037 | 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(=O)NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C34H51F3N8O9S/c1-6-20(5)27(44-30(49)23(15-19(3)4)42-31(50)25-17-38-13-14-39-25)32(51)43-24(16-21-11-9-8-10-12-21)29(48)41-22(7-2)28(47)33(52)40-18-26(46)45-55(53,54)34(35,36)37/h13-14,17,19-24,27H,6-12,15-16,18H2,1-5H3,(H,40,52)(H,41,48)(H,42,50)(H,43,51)(H,44,49)(H,45,46)/t20-,22-,23-,24-,27-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169423
PNG
(CHEMBL363259 | 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(=O)NS(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C45H60N8O9S/c1-6-29(5)39(52-42(57)35(23-28(3)4)50-43(58)37-26-46-21-22-47-37)44(59)51-36(24-30-15-10-8-11-16-30)41(56)49-34(7-2)40(55)45(60)48-27-38(54)53-63(61,62)33-20-14-19-32(25-33)31-17-12-9-13-18-31/h9,12-14,17-22,25-26,28-30,34-36,39H,6-8,10-11,15-16,23-24,27H2,1-5H3,(H,48,60)(H,49,56)(H,50,58)(H,51,59)(H,52,57)(H,53,54)/t29-,34-,35-,36-,39-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169409
PNG
(CHEMBL364144 | 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(=O)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C39H55N9O11S/c1-6-24(5)33(46-36(52)29(19-23(3)4)44-37(53)31-21-40-17-18-41-31)38(54)45-30(20-25-11-9-8-10-12-25)35(51)43-28(7-2)34(50)39(55)42-22-32(49)47-60(58,59)27-15-13-26(14-16-27)48(56)57/h13-18,21,23-25,28-30,33H,6-12,19-20,22H2,1-5H3,(H,42,55)(H,43,51)(H,44,53)(H,45,54)(H,46,52)(H,47,49)/t24-,28-,29-,30-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 920n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169417
PNG
(CHEMBL187516 | 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(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C43H58N8O9S/c1-6-27(5)37(50-40(55)33(21-26(3)4)48-41(56)35-24-44-19-20-45-35)42(57)49-34(22-28-13-9-8-10-14-28)39(54)47-32(7-2)38(53)43(58)46-25-36(52)51-61(59,60)31-18-17-29-15-11-12-16-30(29)23-31/h11-12,15-20,23-24,26-28,32-34,37H,6-10,13-14,21-22,25H2,1-5H3,(H,46,58)(H,47,54)(H,48,56)(H,49,57)(H,50,55)(H,51,52)/t27-,32-,33-,34-,37-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169402
PNG
(CHEMBL189098 | 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(=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C45H60N8O9S/c1-6-29(5)39(52-42(57)35(24-28(3)4)50-43(58)37-26-46-22-23-47-37)44(59)51-36(25-30-14-10-8-11-15-30)41(56)49-34(7-2)40(55)45(60)48-27-38(54)53-63(61,62)33-20-18-32(19-21-33)31-16-12-9-13-17-31/h9,12-13,16-23,26,28-30,34-36,39H,6-8,10-11,14-15,24-25,27H2,1-5H3,(H,48,60)(H,49,56)(H,50,58)(H,51,59)(H,52,57)(H,53,54)/t29-,34-,35-,36-,39-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169422
PNG
(CHEMBL188238 | 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(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C39H56N8O9S/c1-6-25(5)33(46-36(51)29(20-24(3)4)44-37(52)31-22-40-18-19-41-31)38(53)45-30(21-26-14-10-8-11-15-26)35(50)43-28(7-2)34(49)39(54)42-23-32(48)47-57(55,56)27-16-12-9-13-17-27/h9,12-13,16-19,22,24-26,28-30,33H,6-8,10-11,14-15,20-21,23H2,1-5H3,(H,42,54)(H,43,50)(H,44,52)(H,45,53)(H,46,51)(H,47,48)/t25-,28-,29-,30-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169414
PNG
(CHEMBL187619 | 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(=O)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C40H58N8O9S/c1-6-26(5)34(47-37(52)30(20-25(3)4)45-38(53)32-22-41-18-19-42-32)39(54)46-31(21-27-14-10-8-11-15-27)36(51)44-29(7-2)35(50)40(55)43-23-33(49)48-58(56,57)24-28-16-12-9-13-17-28/h9,12-13,16-19,22,25-27,29-31,34H,6-8,10-11,14-15,20-21,23-24H2,1-5H3,(H,43,55)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t26-,29-,30-,31-,34-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50169418
PNG
(CHEMBL430264 | 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(=O)NS(C)(=O)=O
Show InChI InChI=1S/C34H54N8O9S/c1-7-21(5)28(41-31(46)24(16-20(3)4)39-32(47)26-18-35-14-15-36-26)33(48)40-25(17-22-12-10-9-11-13-22)30(45)38-23(8-2)29(44)34(49)37-19-27(43)42-52(6,50)51/h14-15,18,20-25,28H,7-13,16-17,19H2,1-6H3,(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
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%