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Compile Data Set for Download or QSAR

Found 350 hits Enz. Inhib. hit(s) with Target = 'Pepsin'   
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
Pepsin A


(Porcine)
BDBM17943
PNG
(Renin nonpeptide inhibitor, 3 | methyl (3S)-1-[(5S...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@H](Cc2ccccc12)C(=O)OC
Show InChI InChI=1S/C27H43N3O5/c1-6-7-12-29-25(33)18(2)13-23(31)21(28)15-27(3,4)16-24(32)30-17-20(26(34)35-5)14-19-10-8-9-11-22(19)30/h8-11,18,20-21,23,31H,6-7,12-17,28H2,1-5H3,(H,29,33)/t18-,20+,21+,23+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM17949
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C
Show InChI InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM17948
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-({[2-(3-...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C
Show InChI InChI=1S/C27H47N3O5/c1-6-7-13-29-26(32)20(4)16-24(31)23(28)17-21(19(2)3)18-30-27(33)22-11-8-9-12-25(22)35-15-10-14-34-5/h8-9,11-12,19-21,23-24,31H,6-7,10,13-18,28H2,1-5H3,(H,29,32)(H,30,33)/t20-,21-,23+,24+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM17947
PNG
((2R,4S,5S,7R)-5-amino-N-butyl-4-hydroxy-8-{[2-(3-m...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)CNC(=O)c1ccccc1OCCCOC
Show InChI InChI=1S/C25H43N3O5/c1-5-6-12-27-24(30)19(3)16-22(29)21(26)15-18(2)17-28-25(31)20-10-7-8-11-23(20)33-14-9-13-32-4/h7-8,10-11,18-19,21-22,29H,5-6,9,12-17,26H2,1-4H3,(H,27,30)(H,28,31)/t18-,19-,21+,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM17946
PNG
((2S,4S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2,...)
Show SMILES CCCCNC(=O)[C@H](C)CC(O)[C@@H](N)C[C@H](C)COC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C30H41N3O4/c1-4-5-15-32-29(35)22(3)17-28(34)26(31)16-21(2)20-37-30(36)25-19-33(18-23-11-7-6-8-12-23)27-14-10-9-13-24(25)27/h6-14,19,21-22,26,28,34H,4-5,15-18,20,31H2,1-3H3,(H,32,35)/t21-,22+,26-,28?/m0/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM17941
PNG
((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/m1/s1
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n/an/a 8.20E+3n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM17942
PNG
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-2,7,7-trimeth...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C25H41N3O3/c1-5-6-13-27-24(31)18(2)15-22(29)20(26)16-25(3,4)17-23(30)28-14-9-11-19-10-7-8-12-21(19)28/h7-8,10,12,18,20,22,29H,5-6,9,11,13-17,26H2,1-4H3,(H,27,31)/t18-,20+,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM17950
PNG
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC
Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM17944
PNG
(Renin nonpeptide inhibitor, 4 | methyl N-[(3R)-1-[...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](Cc2ccccc12)NC(=O)OC)C(C)C
Show InChI InChI=1S/C29H48N4O5/c1-7-8-13-31-27(36)22(19(2)3)15-25(34)23(30)16-29(4,5)17-26(35)33-18-21(32-28(37)38-6)14-20-11-9-10-12-24(20)33/h9-12,19,21-23,25,34H,7-8,13-18,30H2,1-6H3,(H,31,36)(H,32,37)/t21-,22+,23+,25+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM17945
PNG
((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C
Show InChI InChI=1S/C29H49N3O6/c1-7-8-13-31-28(35)22(20(2)3)14-25(33)23(30)15-29(4,5)16-27(34)32-17-21(18-37-19-36-6)38-26-12-10-9-11-24(26)32/h9-12,20-23,25,33H,7-8,13-19,30H2,1-6H3,(H,31,35)/t21-,22-,23-,25-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin


(Homo sapiens (human))
BDBM16755
PNG
(Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...)
Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO
Show InChI InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32)
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n/an/a>5.00E+4n/an/an/an/a4.522



Wyeth Research



Assay Description
A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...


J Med Chem 49: 6158-61 (2006)


Article DOI: 10.1021/jm0607451
BindingDB Entry DOI: 10.7270/Q2M043NG
More data for this
Ligand-Target Pair
Pepsin


(Homo sapiens (human))
BDBM16754
PNG
(2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-[...)
Show SMILES OCCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C26H34N4O2/c27-25(28-9-4-10-31)29-24(32)17-30-22(21-5-2-1-3-6-21)7-8-23(30)26-14-18-11-19(15-26)13-20(12-18)16-26/h1-3,5-8,18-20,31H,4,9-17H2,(H3,27,28,29,32)
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n/an/a>5.00E+4n/an/an/an/a4.522



Wyeth Research



Assay Description
A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...


J Med Chem 49: 6158-61 (2006)


Article DOI: 10.1021/jm0607451
BindingDB Entry DOI: 10.7270/Q2M043NG
More data for this
Ligand-Target Pair
Pepsin


(Homo sapiens (human))
BDBM16753
PNG
(2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl...)
Show SMILES CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1
Show InChI InChI=1S/C27H23ClN4O3/c1-17(33)18-6-10-20(11-7-18)35-21-12-8-19(9-13-21)24-14-15-25(22-4-2-3-5-23(22)28)32(24)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34)
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n/an/a>5.00E+4n/an/an/an/a4.522



Wyeth Research



Assay Description
A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...


J Med Chem 49: 6158-61 (2006)


Article DOI: 10.1021/jm0607451
BindingDB Entry DOI: 10.7270/Q2M043NG
More data for this
Ligand-Target Pair
Pepsin


(Homo sapiens (human))
BDBM16752
PNG
(2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C23H28N4O/c24-22(25)26-21(28)14-27-19(18-4-2-1-3-5-18)6-7-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H4,24,25,26,28)
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n/an/a>5.00E+4n/an/an/an/a4.522



Wyeth Research



Assay Description
A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...


J Med Chem 49: 6158-61 (2006)


Article DOI: 10.1021/jm0607451
BindingDB Entry DOI: 10.7270/Q2M043NG
More data for this
Ligand-Target Pair
Pepsin


(Homo sapiens (human))
BDBM16751
PNG
((N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-ac...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24)
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n/an/a>5.00E+4n/an/an/an/a4.522



Wyeth Research



Assay Description
A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...


J Med Chem 49: 6158-61 (2006)


Article DOI: 10.1021/jm0607451
BindingDB Entry DOI: 10.7270/Q2M043NG
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012626
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-6-7-13-19(20(30)14-21(31)32)27-24(33)22(16(2)3)28-25(34)23(17(4)5)29-26(35)36-15-18-11-9-8-10-12-18/h8-12,16-17,19-20,22-23,30H,6-7,13-15H2,1-5H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23-/m0/s1
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0.00000300n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


Article DOI: 10.1021/jm00111a054
BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012623
PNG
(3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzy...)
Show SMILES CC(C)CC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-15(2)12-19(20(30)13-21(31)32)27-24(33)22(16(3)4)28-25(34)23(17(5)6)29-26(35)36-14-18-10-8-7-9-11-18/h7-11,15-17,19-20,22-23,30H,12-14H2,1-6H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23-/m0/s1
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0.000190n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


Article DOI: 10.1021/jm00111a054
BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012624
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C(O)CC(O)=O)c1ccccc1
Show InChI InChI=1S/C28H37N3O7/c1-17(2)23(26(35)30-25(21(32)15-22(33)34)20-13-9-6-10-14-20)29-27(36)24(18(3)4)31-28(37)38-16-19-11-7-5-8-12-19/h5-14,17-18,21,23-25,32H,15-16H2,1-4H3,(H,29,36)(H,30,35)(H,31,37)(H,33,34)/t21?,23-,24-,25?/m0/s1
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0.000410n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


Article DOI: 10.1021/jm00111a054
BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012622
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-6-7-13-19(20(30)14-21(31)32)27-24(33)22(16(2)3)28-25(34)23(17(4)5)29-26(35)36-15-18-11-9-8-10-12-18/h8-12,16-17,19-20,22-23,30H,6-7,13-15H2,1-5H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23+/m0/s1
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0.0177n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


Article DOI: 10.1021/jm00111a054
BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012618
PNG
(3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzy...)
Show SMILES CC(C)CC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-15(2)12-19(20(30)13-21(31)32)27-24(33)22(16(3)4)28-25(34)23(17(5)6)29-26(35)36-14-18-10-8-7-9-11-18/h7-11,15-17,19-20,22-23,30H,12-14H2,1-6H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23+/m0/s1
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0.0394n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


Article DOI: 10.1021/jm00111a054
BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028313
PNG
(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...)
Show SMILES CC(C)CC(NC(=O)[C@@H](C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CO
Show InChI InChI=1S/C33H63N5O8/c1-17(2)12-23(25(40)15-28(43)34-22(11)31(44)35-24(13-18(3)4)26(41)16-39)36-32(45)30(21(9)10)38-33(46)29(20(7)8)37-27(42)14-19(5)6/h17-26,29-30,39-41H,12-16H2,1-11H3,(H,34,43)(H,35,44)(H,36,45)(H,37,42)(H,38,46)/t22-,23?,24?,25+,26+,29-,30-/m1/s1
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0.0457n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe


J Med Chem 23: 27-33 (1980)


Article DOI: 10.1021/jm00175a006
BindingDB Entry DOI: 10.7270/Q24T6HCJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50141614
PNG
((1S,2S,5S)-3-Hydroxy-4-[2-((S)-hydroxy-6-(S)-4-{(S...)
Show SMILES CCC(C)(N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H64N6O9/c1-12-34(11,35)33(49)40-29(20(8)9)32(48)39-28(19(6)7)31(47)38-22(13-17(2)3)24(41)15-26(43)36-21(10)30(46)37-23(14-18(4)5)25(42)16-27(44)45/h17-25,28-29,41-42H,12-16,35H2,1-11H3,(H,36,43)(H,37,46)(H,38,47)(H,39,48)(H,40,49)(H,44,45)/t21-,22-,23-,24-,25-,28-,29-,34?/m0/s1
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0.0460n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against aspartyl protease pepsin


Bioorg Med Chem Lett 14: 855-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.030
BindingDB Entry DOI: 10.7270/Q26H4GV5
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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0.0560n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin


J Med Chem 28: 263-73 (1985)


Article DOI: 10.1021/jm00381a001
BindingDB Entry DOI: 10.7270/Q2ST7NW6
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50225475
PNG
(CHEMBL92625)
Show SMILES CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)CC(OP(O)(O)=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C27H51N4O9P/c1-15(2)10-11-22(32)31-26(35)19(9)28-24(34)14-21(40-41(37,38)39)20(12-16(3)4)29-27(36)25(18(7)8)30-23(33)13-17(5)6/h15-21,25H,10-14H2,1-9H3,(H,28,34)(H,29,36)(H,30,33)(H,31,32,35)(H2,37,38,39)/t19-,20+,21?,25+/m1/s1
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<0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin


J Med Chem 28: 263-73 (1985)


Article DOI: 10.1021/jm00381a001
BindingDB Entry DOI: 10.7270/Q2ST7NW6
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens)
BDBM50108795
PNG
(CHEMBL3143435 | {1-[1-(1-{1-Hydroxy-1-methyl-2-[1-...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCCC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C33H63N5O7/c1-19(2)13-15-34-29(40)24(11)35-26(39)18-33(12,44)25(17-21(5)6)36-30(41)27(22(7)8)37-31(42)28(23(9)10)38-32(43)45-16-14-20(3)4/h19-25,27-28,44H,13-18H2,1-12H3,(H,34,40)(H,35,39)(H,36,41)(H,37,42)(H,38,43)/t24-,25-,27?,28?,33-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Inhibition of pepsin


J Med Chem 45: 541-58 (2002)


Article DOI: 10.1021/jm010425b
BindingDB Entry DOI: 10.7270/Q2M9080M
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025532
PNG
(3-Hydroxy-6-methyl-4-[3-methyl-2-(2-methyl-butyryl...)
Show SMILES CCC(C)C(=O)N[C@H](C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)NC(C)C(=O)NCCC(C)C
Show InChI InChI=1S/C26H50N4O5/c1-10-18(8)24(33)30-23(17(6)7)26(35)29-20(13-16(4)5)21(31)14-22(32)28-19(9)25(34)27-12-11-15(2)3/h15-21,23,31H,10-14H2,1-9H3,(H,27,34)(H,28,32)(H,29,35)(H,30,33)/t18?,19?,20?,21-,23+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025525
PNG
(4-[2-(2-Ethyl-butyrylamino)-3-methyl-butyrylamino]...)
Show SMILES CCC(CC)C(=O)N[C@H](C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)NC(C)C(=O)NCCC(C)C
Show InChI InChI=1S/C27H52N4O5/c1-10-20(11-2)26(35)31-24(18(7)8)27(36)30-21(14-17(5)6)22(32)15-23(33)29-19(9)25(34)28-13-12-16(3)4/h16-22,24,32H,10-15H2,1-9H3,(H,28,34)(H,29,33)(H,30,36)(H,31,35)/t19?,21?,22-,24+/m0/s1
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0.310n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012621
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C(O)CC(O)=O)c1ccccc1
Show InChI InChI=1S/C28H37N3O7/c1-17(2)23(26(35)30-25(21(32)15-22(33)34)20-13-9-6-10-14-20)29-27(36)24(18(3)4)31-28(37)38-16-19-11-7-5-8-12-19/h5-14,17-18,21,23-25,32H,15-16H2,1-4H3,(H,29,36)(H,30,35)(H,31,37)(H,33,34)/t21?,23-,24+,25?/m0/s1
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0.346n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


Article DOI: 10.1021/jm00111a054
BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025514
PNG
(2-{2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phe...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C52H81N7O11/c1-30(2)24-37(55-45(62)34(9)53-46(63)38(25-31(3)4)56-47(64)40(28-36-22-18-15-19-23-36)58-51(68)70-52(10,11)12)42(60)29-43(61)54-39(27-35-20-16-14-17-21-35)48(65)59-44(33(7)8)49(66)57-41(26-32(5)6)50(67)69-13/h14-23,30-34,37-42,44,60H,24-29H2,1-13H3,(H,53,63)(H,54,61)(H,55,62)(H,56,64)(H,57,66)(H,58,68)(H,59,65)
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0.640n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of pepsin.


J Med Chem 29: 2519-24 (1987)


Article DOI: 10.1021/jm00162a015
BindingDB Entry DOI: 10.7270/Q2NZ887N
More data for this
Ligand-Target Pair
Pepsinogen C


(Homo sapiens)
BDBM50008139
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human gastricsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025899
PNG
(3-Hydroxy-4-[3-methyl-2-(3-methyl-butyrylamino)-bu...)
Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C30H48N4O6/c1-18(2)13-14-25(36)34-29(39)21(7)31-27(38)17-24(35)23(16-22-11-9-8-10-12-22)32-30(40)28(20(5)6)33-26(37)15-19(3)4/h8-12,18-21,23-24,28,35H,13-17H2,1-7H3,(H,31,38)(H,32,40)(H,33,37)(H,34,36,39)/t21-,23+,24?,28+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin


J Med Chem 28: 263-73 (1985)


Article DOI: 10.1021/jm00381a001
BindingDB Entry DOI: 10.7270/Q2ST7NW6
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028314
PNG
(CHEMBL325506 | N-(3-{1-Hydroxy-2-[1-(3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)NC(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C28H46N4O5/c1-17(2)13-14-29-28(37)20(7)30-23(34)16-24(35)32-26(21-11-9-8-10-12-21)27(36)25(19(5)6)31-22(33)15-18(3)4/h8-12,17-20,24-26,32,35H,13-16H2,1-7H3,(H,29,37)(H,30,34)(H,31,33)/t20-,24-,25+,26?/m0/s1
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0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe


J Med Chem 23: 27-33 (1980)


Article DOI: 10.1021/jm00175a006
BindingDB Entry DOI: 10.7270/Q24T6HCJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022520
PNG
(CHEMBL156558 | CHEMBL3349395 | H2N-Abu-Pro-Phe-Abu...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)C(CC(C)C)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCN
Show InChI InChI=1S/C46H69N7O9/c1-30(2)25-34(39(54)29-41(56)50-35(26-31(3)4)44(59)52-37(46(61)62-5)28-33-17-10-7-11-18-33)49-40(55)20-13-23-48-43(58)36(27-32-15-8-6-9-16-32)51-45(60)38-19-14-24-53(38)42(57)21-12-22-47/h6-11,15-18,30-31,34-39,54H,12-14,19-29,47H2,1-5H3,(H,48,58)(H,49,55)(H,50,56)(H,51,60)(H,52,59)/t34?,35-,36-,37-,38-,39?/m0/s1
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<1n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of human renin at pH 6.0


J Med Chem 31: 625-9 (1988)


Article DOI: 10.1021/jm00398a022
BindingDB Entry DOI: 10.7270/Q2B85742
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50227343
PNG
(CHEMBL3349391)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C37H54N6O8/c1-22(2)17-28(30(44)20-31(45)40-24(5)34(47)42-29(37(50)51-6)19-26-15-11-8-12-16-26)41-36(49)33(23(3)4)43-32(46)21-39-35(48)27(38)18-25-13-9-7-10-14-25/h7-16,22-24,27-30,33,44H,17-21,38H2,1-6H3,(H,39,48)(H,40,45)(H,41,49)(H,42,47)(H,43,46)/t24-,27-,28-,29-,30-,33-/m0/s1
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<1n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin at pH 4.0 (time-dependent inhibition, T1/2>30 s)


J Med Chem 31: 625-9 (1988)


Article DOI: 10.1021/jm00398a022
BindingDB Entry DOI: 10.7270/Q2B85742
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50027905
PNG
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C28H52N4O7/c1-15(2)11-20(30-27(37)25(18(7)8)32-23(34)13-17(5)6)22(33)14-24(35)29-19(9)26(36)31-21(12-16(3)4)28(38)39-10/h15-22,25,33H,11-14H2,1-10H3,(H,29,35)(H,30,37)(H,31,36)(H,32,34)
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for time dependent inhibition constant against porcine pepsin


J Med Chem 26: 904-10 (1983)


Article DOI: 10.1021/jm00360a022
BindingDB Entry DOI: 10.7270/Q2057DX2
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028312
PNG
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32)/t19-,20?,21-,24+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe


J Med Chem 23: 27-33 (1980)


Article DOI: 10.1021/jm00175a006
BindingDB Entry DOI: 10.7270/Q24T6HCJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012620
PNG
(3-hydroxy-4-(4-hydroxyphenyl)-4-[2-methyl-1-[2-met...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C(O)CC(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H37N3O8/c1-16(2)23(26(36)30-25(21(33)14-22(34)35)19-10-12-20(32)13-11-19)29-27(37)24(17(3)4)31-28(38)39-15-18-8-6-5-7-9-18/h5-13,16-17,21,23-25,32-33H,14-15H2,1-4H3,(H,29,37)(H,30,36)(H,31,38)(H,34,35)/t21?,23-,24-,25?/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


Article DOI: 10.1021/jm00111a054
BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens)
BDBM50108798
PNG
(CHEMBL3143437 | {1-[1-(1-{1-Hydroxy-2-[1-(3-methyl...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@@](C)(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCCC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H61N5O7/c1-18(2)12-14-33-29(40)23(11)34-26(39)17-25(38)24(16-20(5)6)35-30(41)27(21(7)8)36-31(42)28(22(9)10)37-32(43)44-15-13-19(3)4/h18-25,27-28,38H,12-17H2,1-11H3,(H,33,40)(H,34,39)(H,35,41)(H,36,42)(H,37,43)/t23-,24-,25-,27?,28?/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Inhibition of pepsin


J Med Chem 45: 541-58 (2002)


Article DOI: 10.1021/jm010425b
BindingDB Entry DOI: 10.7270/Q2M9080M
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025889
PNG
(3-Hydroxy-6-methyl-4-(methyl-{3-methyl-2-[3-methyl...)
Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C33H61N5O7/c1-18(2)13-14-26(40)36-31(43)23(11)34-28(42)17-25(39)24(15-19(3)4)38(12)33(45)30(22(9)10)37-32(44)29(21(7)8)35-27(41)16-20(5)6/h18-25,29-30,39H,13-17H2,1-12H3,(H,34,42)(H,35,41)(H,37,44)(H,36,40,43)/t23-,24+,25?,29-,30+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin


J Med Chem 28: 263-73 (1985)


Article DOI: 10.1021/jm00381a001
BindingDB Entry DOI: 10.7270/Q2ST7NW6
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50027909
PNG
(2-(2-{3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-b...)
Show SMILES COC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C31H50N4O7/c1-18(2)14-23(33-30(40)28(20(5)6)35-26(37)15-19(3)4)25(36)17-27(38)32-21(7)29(39)34-24(31(41)42-8)16-22-12-10-9-11-13-22/h9-13,18-21,23-25,28,36H,14-17H2,1-8H3,(H,32,38)(H,33,40)(H,34,39)(H,35,37)
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for time dependent inhibition constant against porcine pepsin


J Med Chem 26: 904-10 (1983)


Article DOI: 10.1021/jm00360a022
BindingDB Entry DOI: 10.7270/Q2057DX2
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012619
PNG
(3-hydroxy-4-(4-hydroxyphenyl)-4-[2-methyl-1-[2-met...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C(O)CC(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H37N3O8/c1-16(2)23(26(36)30-25(21(33)14-22(34)35)19-10-12-20(32)13-11-19)29-27(37)24(17(3)4)31-28(38)39-15-18-8-6-5-7-9-18/h5-13,16-17,21,23-25,32-33H,14-15H2,1-4H3,(H,29,37)(H,30,36)(H,31,38)(H,34,35)/t21?,23-,24+,25?/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


Article DOI: 10.1021/jm00111a054
BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025519
PNG
(4-[2-(2,2-Dimethyl-propionylamino)-3-methyl-butyry...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O5/c1-15(2)11-12-27-23(33)18(7)28-21(32)14-20(31)19(13-16(3)4)29-24(34)22(17(5)6)30-25(35)26(8,9)10/h15-20,22,31H,11-14H2,1-10H3,(H,27,33)(H,28,32)(H,29,34)(H,30,35)/t18?,19?,20-,22+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025510
PNG
(2-{2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phe...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C49H75N7O11/c1-28(2)23-35(53-43(60)32(8)50-42(59)31(7)51-44(61)37(26-34-21-17-14-18-22-34)55-48(65)67-49(9,10)11)39(57)27-40(58)52-36(25-33-19-15-13-16-20-33)45(62)56-41(30(5)6)46(63)54-38(24-29(3)4)47(64)66-12/h13-22,28-32,35-39,41,57H,23-27H2,1-12H3,(H,50,59)(H,51,61)(H,52,58)(H,53,60)(H,54,63)(H,55,65)(H,56,62)
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of pepsin.


J Med Chem 29: 2519-24 (1987)


Article DOI: 10.1021/jm00162a015
BindingDB Entry DOI: 10.7270/Q2NZ887N
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025901
PNG
(4-Hydroxy-7-methyl-5-[3-methyl-2-(3-methyl-butyryl...)
Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C34H56N4O6/c1-20(2)15-16-29(40)38-32(42)24(9)35-33(43)26(25-13-11-10-12-14-25)19-28(39)27(17-21(3)4)36-34(44)31(23(7)8)37-30(41)18-22(5)6/h10-14,20-24,26-28,31,39H,15-19H2,1-9H3,(H,35,43)(H,36,44)(H,37,41)(H,38,40,42)/t24-,26-,27+,28?,31+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin


J Med Chem 28: 263-73 (1985)


Article DOI: 10.1021/jm00381a001
BindingDB Entry DOI: 10.7270/Q2ST7NW6
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022293
PNG
(CHEMBL124266 | N-(2-Hydroxy-1-isobutyl-4-{1-[1-(3-...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C(C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C34H58N4O5/c1-21(2)15-16-35-32(41)25(9)36-33(42)27(19-26-13-11-10-12-14-26)20-29(39)28(17-22(3)4)37-34(43)31(24(7)8)38-30(40)18-23(5)6/h10-14,21-25,27-29,31,39H,15-20H2,1-9H3,(H,35,41)(H,36,42)(H,37,43)(H,38,40)/t25?,27?,28-,29-,31?/m0/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin


J Med Chem 30: 374-83 (1987)


Article DOI: 10.1021/jm00385a020
BindingDB Entry DOI: 10.7270/Q2KP815G
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025513
PNG
(2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phenyl...)
Show SMILES COC(=O)C(CC(C)C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C40H66N6O10/c1-22(2)18-28(31(47)21-32(48)46-33(24(5)6)37(52)44-30(19-23(3)4)38(53)55-12)43-35(50)26(8)41-34(49)25(7)42-36(51)29(20-27-16-14-13-15-17-27)45-39(54)56-40(9,10)11/h13-17,22-26,28-31,33,47H,18-21H2,1-12H3,(H,41,49)(H,42,51)(H,43,50)(H,44,52)(H,45,54)(H,46,48)
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2.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of pepsin.


J Med Chem 29: 2519-24 (1987)


Article DOI: 10.1021/jm00162a015
BindingDB Entry DOI: 10.7270/Q2NZ887N
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50017485
PNG
(1N-[1-isopentylcarbamoyl-(1S)-ethyl]-4-[1-(1-amino...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32)/t19-,20-,21-,24-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022305
PNG
(CHEMBL123739 | N-{2-Hydroxy-1-isobutyl-4-[1-(2-iso...)
Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)[C@@H](O)CC(C)C(=O)NC(C)C(=O)NC(=O)C(C)C
Show InChI InChI=1S/C27H50N4O6/c1-14(2)11-20(29-27(37)23(16(5)6)30-22(33)12-15(3)4)21(32)13-18(9)25(35)28-19(10)26(36)31-24(34)17(7)8/h14-21,23,32H,11-13H2,1-10H3,(H,28,35)(H,29,37)(H,30,33)(H,31,34,36)/t18?,19?,20-,21-,23?/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin


J Med Chem 30: 374-83 (1987)


Article DOI: 10.1021/jm00385a020
BindingDB Entry DOI: 10.7270/Q2KP815G
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022302
PNG
(CHEMBL339356 | N-(2-Hydroxy-1-isobutyl-4-{1-[1-(3-...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C(C)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C28H54N4O5/c1-16(2)11-12-29-27(36)21(10)30-26(35)20(9)15-23(33)22(13-17(3)4)31-28(37)25(19(7)8)32-24(34)14-18(5)6/h16-23,25,33H,11-15H2,1-10H3,(H,29,36)(H,30,35)(H,31,37)(H,32,34)/t20?,21?,22-,23-,25?/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin


J Med Chem 30: 374-83 (1987)


Article DOI: 10.1021/jm00385a020
BindingDB Entry DOI: 10.7270/Q2KP815G
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022296
PNG
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32)/t19?,20?,21-,24?/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pepsin was determined


J Med Chem 30: 374-83 (1987)


Article DOI: 10.1021/jm00385a020
BindingDB Entry DOI: 10.7270/Q2KP815G
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Ligand-Target Pair
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