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PubMed code 14640544

Compile data set for download or QSAR
Found 7 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


(Human rhinovirus B)		BDBM50136003
PNG
((S)-4-((S)-2-Acetylamino-3-carboxy-propionylamino)...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C35H58N6O12S/c1-6-19(4)29(34(51)39-24(15-21-10-8-7-9-11-21)31(48)40-26(17-54)35(52)53)41-33(50)23(14-18(2)3)38-30(47)22(12-13-27(43)44)37-32(49)25(16-28(45)46)36-20(5)42/h18-19,21-26,29,54H,6-17H2,1-5H3,(H,36,42)(H,37,49)(H,38,47)(H,39,51)(H,40,48)(H,41,50)(H,43,44)(H,45,46)(H,52,53)/t19-,22-,23+,24+,25+,26+,29+/m1/s1
PDB
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UniProtKB/TrEMBL

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 120n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding constant against hepatitis C virus (HCV) protease

J Med Chem 46: 5360-4 (2003)


Article DOI: 10.1021/jm030040o
BindingDB Entry DOI: 10.7270/Q20001J6
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50136004
PNG
((S)-2-[(S)-2-((R)-2-{(S)-2-[(R)-2-((S)-2-Acetylami...)
Show SMILES CCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@H](C)CC)C(O)=O
Show InChI InChI=1S/C37H62N6O12/c1-7-12-25(37(54)55)40-33(50)27(18-23-13-10-9-11-14-23)42-36(53)31(21(5)8-2)43-35(52)26(17-20(3)4)41-32(49)24(15-16-29(45)46)39-34(51)28(19-30(47)48)38-22(6)44/h20-21,23-28,31H,7-19H2,1-6H3,(H,38,44)(H,39,51)(H,40,50)(H,41,49)(H,42,53)(H,43,52)(H,45,46)(H,47,48)(H,54,55)/t21-,24-,25+,26+,27+,28+,31+/m1/s1
PDB
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UniProtKB/TrEMBL

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 130n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding constant against hepatitis C virus (HCV) protease

J Med Chem 46: 5360-4 (2003)


Article DOI: 10.1021/jm030040o
BindingDB Entry DOI: 10.7270/Q20001J6
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50136007
PNG
((S)-4-((S)-2-Acetylamino-3-carboxy-propionylamino)...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CSC)C(O)=O
Show InChI InChI=1S/C36H60N6O12S/c1-7-20(4)30(35(52)40-25(16-22-11-9-8-10-12-22)32(49)41-27(18-55-6)36(53)54)42-34(51)24(15-19(2)3)39-31(48)23(13-14-28(44)45)38-33(50)26(17-29(46)47)37-21(5)43/h19-20,22-27,30H,7-18H2,1-6H3,(H,37,43)(H,38,50)(H,39,48)(H,40,52)(H,41,49)(H,42,51)(H,44,45)(H,46,47)(H,53,54)/t20-,23-,24+,25+,26+,27+,30+/m1/s1
PDB
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UniProtKB/TrEMBL

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 500n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding constant against hepatitis C virus (HCV) protease

J Med Chem 46: 5360-4 (2003)


Article DOI: 10.1021/jm030040o
BindingDB Entry DOI: 10.7270/Q20001J6
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50136002
PNG
(2-[(S)-(S)-2-((R)-2-{(S)-2-[(R)-2-((S)-2-Acetylami...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C36H60N6O12/c1-7-20(5)30(35(52)41-26(17-22-12-10-9-11-13-22)32(49)38-23(8-2)36(53)54)42-34(51)25(16-19(3)4)40-31(48)24(14-15-28(44)45)39-33(50)27(18-29(46)47)37-21(6)43/h19-20,22-27,30H,7-18H2,1-6H3,(H,37,43)(H,38,49)(H,39,50)(H,40,48)(H,41,52)(H,42,51)(H,44,45)(H,46,47)(H,53,54)/t20-,23+,24-,25+,26+,27+,30+/m1/s1
PDB
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UniProtKB/TrEMBL

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 600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding constant against hepatitis C virus (HCV) protease

J Med Chem 46: 5360-4 (2003)


Article DOI: 10.1021/jm030040o
BindingDB Entry DOI: 10.7270/Q20001J6
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50136001
PNG
(2-[(S)-(S)-2-((R)-2-{(S)-2-[(R)-2-((S)-2-Acetylami...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@H](C)CC)C(O)=O
Show InChI InChI=1S/C38H64N6O12/c1-7-9-15-26(38(55)56)41-34(51)28(19-24-13-11-10-12-14-24)43-37(54)32(22(5)8-2)44-36(53)27(18-21(3)4)42-33(50)25(16-17-30(46)47)40-35(52)29(20-31(48)49)39-23(6)45/h21-22,24-29,32H,7-20H2,1-6H3,(H,39,45)(H,40,52)(H,41,51)(H,42,50)(H,43,54)(H,44,53)(H,46,47)(H,48,49)(H,55,56)/t22-,25-,26+,27+,28+,29+,32+/m1/s1
PDB
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UniProtKB/TrEMBL

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 2.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding constant against hepatitis C virus (HCV) protease

J Med Chem 46: 5360-4 (2003)


Article DOI: 10.1021/jm030040o
BindingDB Entry DOI: 10.7270/Q20001J6
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50136005
PNG
((S)-4-((S)-2-Acetylamino-3-carboxy-propionylamino)...)
Show SMILES CCSC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@H](C)CC)C(O)=O
Show InChI InChI=1S/C37H62N6O12S/c1-7-21(5)31(36(53)41-26(17-23-12-10-9-11-13-23)33(50)42-28(37(54)55)19-56-8-2)43-35(52)25(16-20(3)4)40-32(49)24(14-15-29(45)46)39-34(51)27(18-30(47)48)38-22(6)44/h20-21,23-28,31H,7-19H2,1-6H3,(H,38,44)(H,39,51)(H,40,49)(H,41,53)(H,42,50)(H,43,52)(H,45,46)(H,47,48)(H,54,55)/t21-,24-,25+,26+,27+,28+,31+/m1/s1
PDB
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UniProtKB/TrEMBL

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 5.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding constant against hepatitis C virus (HCV) protease

J Med Chem 46: 5360-4 (2003)


Article DOI: 10.1021/jm030040o
BindingDB Entry DOI: 10.7270/Q20001J6
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50136006
PNG
(2-[(S)-(S)-2-((R)-2-{(S)-2-[(R)-2-((S)-2-Acetylami...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCS)C(O)=O
Show InChI InChI=1S/C36H60N6O12S/c1-6-20(4)30(35(52)41-26(17-22-10-8-7-9-11-22)32(49)39-24(14-15-55)36(53)54)42-34(51)25(16-19(2)3)40-31(48)23(12-13-28(44)45)38-33(50)27(18-29(46)47)37-21(5)43/h19-20,22-27,30,55H,6-18H2,1-5H3,(H,37,43)(H,38,50)(H,39,49)(H,40,48)(H,41,52)(H,42,51)(H,44,45)(H,46,47)(H,53,54)/t20-,23-,24+,25+,26+,27+,30+/m1/s1
PDB
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UniProtKB/TrEMBL

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 8.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding constant against hepatitis C virus (HCV) protease

J Med Chem 46: 5360-4 (2003)


Article DOI: 10.1021/jm030040o
BindingDB Entry DOI: 10.7270/Q20001J6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%