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Compile Data Set for Download or QSAR

Found 258 hits Enz. Inhib. hit(s) with Target = 'Pepsin A' AND taxid = 9823   
Target
(Institution)
LigandTarget
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)
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)

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)

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)

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)

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)

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)

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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Article
PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025902
PNG
(3-Hydroxy-4-[2-(3-hydroxy-6-methyl-4-{3-methyl-2-[...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)NC(=O)CC(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(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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028391
PNG
(4-[2-(2-Ethyl-butyrylamino)-3-methyl-butyrylamino]...)
Show SMILES CCC(CC)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)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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0.180n/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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028394
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)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](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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0.310n/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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028396
PNG
(3-Hydroxy-4-(2-isobutyrylamino-3-methyl-butyrylami...)
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(C)C)C(C)C
Show InChI InChI=1S/C25H48N4O5/c1-14(2)10-11-26-24(33)18(9)27-21(31)13-20(30)19(12-15(3)4)28-25(34)22(16(5)6)29-23(32)17(7)8/h14-20,22,30H,10-13H2,1-9H3,(H,26,33)(H,27,31)(H,28,34)(H,29,32)/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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50027914
PNG
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)
Show SMILES CC(C)CCNC(=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/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)
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3n/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)

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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025898
PNG
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)
Show SMILES CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C27H50N4O6/c1-15(2)10-11-22(33)31-26(36)19(9)28-24(35)14-21(32)20(12-16(3)4)29-27(37)25(18(7)8)30-23(34)13-17(5)6/h15-21,25,32H,10-14H2,1-9H3,(H,28,35)(H,29,37)(H,30,34)(H,31,33,36)/t19-,20+,21?,25+/m1/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 28: 263-73 (1985)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025890
PNG
(4-Hydroxy-2,7-dimethyl-5-[3-methyl-2-(3-methyl-but...)
Show SMILES CC(C)CNC(=O)[C@H](C)NC(=O)[C@@H](C)CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C27H52N4O5/c1-15(2)11-21(30-27(36)24(18(7)8)31-23(33)12-16(3)4)22(32)13-19(9)25(34)29-20(10)26(35)28-14-17(5)6/h15-22,24,32H,11-14H2,1-10H3,(H,28,35)(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+,22?,24+/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 28: 263-73 (1985)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50141612
PNG
((S)-4-[(S)-2-(2-Amino-2-methyl-butyrylamino)-3-met...)
Show SMILES CCC(C)(N)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)n1cc(C(C)=O)c2ccccc12
Show InChI InChI=1S/C31H47N5O6/c1-9-31(8,32)30(42)35-27(18(4)5)28(40)34-23(14-17(2)3)25(38)15-26(39)33-19(6)29(41)36-16-22(20(7)37)21-12-10-11-13-24(21)36/h10-13,16-19,23,25,27,38H,9,14-15,32H2,1-8H3,(H,33,39)(H,34,40)(H,35,42)/t19-,23-,25-,27-,31?/m0/s1
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3n/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


Citation and Details
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025890
PNG
(4-Hydroxy-2,7-dimethyl-5-[3-methyl-2-(3-methyl-but...)
Show SMILES CC(C)CNC(=O)[C@H](C)NC(=O)[C@@H](C)CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C27H52N4O5/c1-15(2)11-21(30-27(36)24(18(7)8)31-23(33)12-16(3)4)22(32)13-19(9)25(34)29-20(10)26(35)28-14-17(5)6/h15-22,24,32H,11-14H2,1-10H3,(H,28,35)(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+,22?,24+/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 28: 263-73 (1985)

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)

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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025526
PNG
((1-{1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-butylcarbamo...)
Show SMILES CC(C)CCNC(=O)C(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
Show InChI InChI=1S/C36H60N6O8/c1-21(2)16-17-37-31(45)23(5)38-30(44)20-29(43)27(18-22(3)4)41-33(47)25(7)39-32(46)24(6)40-34(48)28(19-26-14-12-11-13-15-26)42-35(49)50-36(8,9)10/h11-15,21-25,27-29,43H,16-20H2,1-10H3,(H,37,45)(H,38,44)(H,39,46)(H,40,48)(H,41,47)(H,42,49)
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3.30n/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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50027917
PNG
(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...)
Show SMILES COC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C27H50N4O7/c1-14(2)11-19(20(32)13-22(34)28-18(9)27(37)38-10)29-25(35)24(17(7)8)31-26(36)23(16(5)6)30-21(33)12-15(3)4/h14-20,23-24,32H,11-13H2,1-10H3,(H,28,34)(H,29,35)(H,30,33)(H,31,36)
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3.5n/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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022512
PNG
(CHEMBL349789 | Ibu-His-Pro-Phe-Ala-Sta-Leu-PheNH2)
Show SMILES CC(C)CC(NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H72N10O9/c1-29(2)21-36(42(61)26-43(62)55-38(22-30(3)4)48(67)57-37(44(51)63)23-33-15-10-8-11-16-33)56-46(65)32(7)54-47(66)39(24-34-17-12-9-13-18-34)58-49(68)41-19-14-20-60(41)50(69)40(59-45(64)31(5)6)25-35-27-52-28-53-35/h8-13,15-18,27-32,36-42,61H,14,19-26H2,1-7H3,(H2,51,63)(H,52,53)(H,54,66)(H,55,62)(H,56,65)(H,57,67)(H,58,68)(H,59,64)/t32-,36?,37-,38-,39-,40?,41-,42?/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin at pH 4.0


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50027915
PNG
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)
Show SMILES CC(C)CCNC(=O)C(CC(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/C29H56N4O5/c1-17(2)11-12-30-28(37)23(14-19(5)6)31-26(36)16-24(34)22(13-18(3)4)32-29(38)27(21(9)10)33-25(35)15-20(7)8/h17-24,27,34H,11-16H2,1-10H3,(H,30,37)(H,31,36)(H,32,38)(H,33,35)
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4.60n/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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025528
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(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C43H72N6O10/c1-24(2)19-30(34(50)23-35(51)49-36(27(7)8)40(55)47-33(21-26(5)6)41(56)58-13)45-39(54)31(20-25(3)4)46-37(52)28(9)44-38(53)32(22-29-17-15-14-16-18-29)48-42(57)59-43(10,11)12/h14-18,24-28,30-34,36,50H,19-23H2,1-13H3,(H,44,53)(H,45,54)(H,46,52)(H,47,55)(H,48,57)(H,49,51)
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6.10n/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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028392
PNG
(4-[2-(3,3-Dimethyl-2-oxo-butylamino)-3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NCC(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C27H52N4O5/c1-16(2)11-12-28-25(35)19(7)30-23(34)14-21(32)20(13-17(3)4)31-26(36)24(18(5)6)29-15-22(33)27(8,9)10/h16-21,24,29,32H,11-15H2,1-10H3,(H,28,35)(H,30,34)(H,31,36)/t19-,20-,21-,24-/m0/s1
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7.5n/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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028390
PNG
(CHEMBL166522 | [1-(1-{1-Hydroxy-2-[1-(3-methyl-but...)
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)OC(C)C)C(C)C
Show InChI InChI=1S/C25H48N4O6/c1-14(2)10-11-26-23(32)18(9)27-21(31)13-20(30)19(12-15(3)4)28-24(33)22(16(5)6)29-25(34)35-17(7)8/h14-20,22,30H,10-13H2,1-9H3,(H,26,32)(H,27,31)(H,28,33)(H,29,34)/t18-,19-,20-,22-/m0/s1
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8.60n/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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025887
PNG
(6-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyr...)
Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(=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
Show InChI InChI=1S/C32H57N5O7/c1-17(2)12-13-25(39)36-30(42)22(11)33-27(41)16-24(38)23(14-18(3)4)34-31(43)29(21(9)10)37-32(44)28(20(7)8)35-26(40)15-19(5)6/h17-23,28-29H,12-16H2,1-11H3,(H,33,41)(H,34,43)(H,35,40)(H,37,44)(H,36,39,42)/t22-,23+,28-,29+/m0/s1
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10n/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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025892
PNG
(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...)
Show SMILES CCOC(=O)CC(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
Show InChI InChI=1S/C25H47N3O6/c1-10-34-21(31)13-19(29)18(11-14(2)3)26-24(32)23(17(8)9)28-25(33)22(16(6)7)27-20(30)12-15(4)5/h14-19,22-23,29H,10-13H2,1-9H3,(H,26,32)(H,27,30)(H,28,33)/t18-,19?,22-,23-/m0/s1
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10n/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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50027906
PNG
(3-Hydroxy-6-methyl-4-[4-methyl-2-(3-methyl-butyryl...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)CNC(=O)CC(C)C
Show InChI InChI=1S/C23H44N4O5/c1-14(2)8-9-24-23(32)17(7)26-21(30)12-19(28)18(10-15(3)4)27-22(31)13-25-20(29)11-16(5)6/h14-19,28H,8-13H2,1-7H3,(H,24,32)(H,25,29)(H,26,30)(H,27,31)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for time independent inhibition constant against porcine pepsin


J Med Chem 26: 904-10 (1983)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50027903
PNG
(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...)
Show SMILES CCOC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C25H47N3O6/c1-10-34-21(31)13-19(29)18(11-14(2)3)26-24(32)23(17(8)9)28-25(33)22(16(6)7)27-20(30)12-15(4)5/h14-19,22-23,29H,10-13H2,1-9H3,(H,26,32)(H,27,30)(H,28,33)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for time independent inhibition constant against porcine pepsin


J Med Chem 26: 904-10 (1983)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50017789
PNG
((3S,4S)-3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl...)
Show SMILES CCOC(=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
Show InChI InChI=1S/C25H47N3O6/c1-10-34-21(31)13-19(29)18(11-14(2)3)26-24(32)23(17(8)9)28-25(33)22(16(6)7)27-20(30)12-15(4)5/h14-19,22-23,29H,10-13H2,1-9H3,(H,26,32)(H,27,30)(H,28,33)/t18-,19-,22-,23-/m0/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of porcine pepsin


J Med Chem 30: 286-95 (1987)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028393
PNG
(CHEMBL348724 | {1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-...)
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)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H59N5O7/c1-17(2)13-14-32-27(39)21(9)33-24(38)16-23(37)22(15-18(3)4)34-28(40)25(19(5)6)35-29(41)26(20(7)8)36-30(42)43-31(10,11)12/h17-23,25-26,37H,13-16H2,1-12H3,(H,32,39)(H,33,38)(H,34,40)(H,35,41)(H,36,42)/t21-,22-,23-,25-,26+/m0/s1
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11n/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)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50281636
PNG
((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1
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Article
12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for aspartyl protease inhibition selectivity relative to pepsin


Citation and Details
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50022517
PNG
(CHEMBL156160 | POA-Leu-Sta-Leu-PheOMe)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C
Show InChI InChI=1S/C37H60N4O9/c1-22(2)16-26(40-33(45)28(18-24(5)6)39-32(44)21-50-36(48)37(7,8)9)30(42)20-31(43)38-27(17-23(3)4)34(46)41-29(35(47)49-10)19-25-14-12-11-13-15-25/h11-15,22-24,26-30,42H,16-21H2,1-10H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t26?,27-,28-,29-,30?/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin at pH 4.0


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50027911
PNG
(3-Hydroxy-6-methyl-4-[4-methyl-2-(3-methyl-butyryl...)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CC(C)C
Show InChI InChI=1S/C27H52N4O5/c1-16(2)10-11-28-26(35)20(9)29-25(34)15-23(32)21(12-17(3)4)31-27(36)22(13-18(5)6)30-24(33)14-19(7)8/h16-23,32H,10-15H2,1-9H3,(H,28,35)(H,29,34)(H,30,33)(H,31,36)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for time independent inhibition constant against porcine pepsin


J Med Chem 26: 904-10 (1983)

More data for this
Ligand-Target Pair
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