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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'kratzel' and Initial = 'm'   
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-5


(Homo sapiens (Human))
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 |r|
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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n/an/a 59n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)


J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50077623
PNG
(CHEMBL63831 | {(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobu...)
Show SMILES CCCCCCC(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/C27H53N3O5/c1-11-12-13-14-15-21(31)20(16-17(2)3)28-24(32)22(18(4)5)29-25(33)23(19(6)7)30-26(34)35-27(8,9)10/h17-23,31H,11-16H2,1-10H3,(H,28,32)(H,29,33)(H,30,34)/t20-,21?,22-,23-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase


J Med Chem 42: 2041-5 (1999)


Article DOI: 10.1021/jm9807306
BindingDB Entry DOI: 10.7270/Q21N809J
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50077620
PNG
(CHEMBL62319 | {(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobu...)
Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C30H51N3O5/c1-8-9-10-14-17-25(34)24(18-20(2)3)31-28(35)26(21(4)5)32-29(36)27(22(6)7)33-30(37)38-19-23-15-12-11-13-16-23/h11-13,15-16,20-22,24-27,34H,8-10,14,17-19H2,1-7H3,(H,31,35)(H,32,36)(H,33,37)/t24-,25?,26-,27-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase


J Med Chem 42: 2041-5 (1999)


Article DOI: 10.1021/jm9807306
BindingDB Entry DOI: 10.7270/Q21N809J
More data for this
Ligand-Target Pair
Pepsin A-5


(Homo sapiens (Human))
BDBM50064908
PNG
(CHEMBL77353 | {1-[1-((S)-2-Hydroxy-1-propyl-octylc...)
Show SMILES CCCCCCC(O)[C@H](CCC)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C26H51N3O5/c1-10-12-13-14-16-20(30)19(15-11-2)27-23(31)21(17(3)4)28-24(32)22(18(5)6)29-25(33)34-26(7,8)9/h17-22,30H,10-16H2,1-9H3,(H,27,31)(H,28,32)(H,29,33)/t19-,20?,21?,22?/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)


J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50077624
PNG
((S)-N-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbam...)
Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C31H53N3O4/c1-8-9-10-14-17-26(35)25(20-21(2)3)32-30(37)29(23(6)7)34-31(38)28(22(4)5)33-27(36)19-18-24-15-12-11-13-16-24/h11-13,15-16,21-23,25-26,28-29,35H,8-10,14,17-20H2,1-7H3,(H,32,37)(H,33,36)(H,34,38)/t25-,26?,28-,29-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase


J Med Chem 42: 2041-5 (1999)


Article DOI: 10.1021/jm9807306
BindingDB Entry DOI: 10.7270/Q21N809J
More data for this
Ligand-Target Pair
Pepsin A-5


(Homo sapiens (Human))
BDBM50064905
PNG
(CHEMBL305815 | {1-[1-((S)-2-Hydroxy-1-isobutyl-dec...)
Show SMILES CCCCCCCCC(O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C29H57N3O5/c1-11-12-13-14-15-16-17-23(33)22(18-19(2)3)30-26(34)24(20(4)5)31-27(35)25(21(6)7)32-28(36)37-29(8,9)10/h19-25,33H,11-18H2,1-10H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23?,24?,25?/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)


J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair
Pepsin A-5


(Homo sapiens (Human))
BDBM50064912
PNG
(CHEMBL77718 | {1-[1-((S)-2-Hydroxy-1-isobutyl-octy...)
Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C27H53N3O5/c1-11-12-13-14-15-21(31)20(16-17(2)3)28-24(32)22(18(4)5)29-25(33)23(19(6)7)30-26(34)35-27(8,9)10/h17-23,31H,11-16H2,1-10H3,(H,28,32)(H,29,33)(H,30,34)/t20-,21?,22?,23?/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)


J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair
Pepsin A-5


(Homo sapiens (Human))
BDBM50064909
PNG
(CHEMBL78088 | {1-[1-((S)-2-Hydroxy-1-propyl-hexylc...)
Show SMILES CCCCC(O)[C@H](CCC)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C24H47N3O5/c1-10-12-14-18(28)17(13-11-2)25-21(29)19(15(3)4)26-22(30)20(16(5)6)27-23(31)32-24(7,8)9/h15-20,28H,10-14H2,1-9H3,(H,25,29)(H,26,30)(H,27,31)/t17-,18?,19?,20?/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)


J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50077622
PNG
((S)-N-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbam...)
Show SMILES CCCCCCC(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/C27H53N3O4/c1-10-11-12-13-14-22(31)21(15-17(2)3)28-26(33)25(20(8)9)30-27(34)24(19(6)7)29-23(32)16-18(4)5/h17-22,24-25,31H,10-16H2,1-9H3,(H,28,33)(H,29,32)(H,30,34)/t21-,22?,24-,25-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase


J Med Chem 42: 2041-5 (1999)


Article DOI: 10.1021/jm9807306
BindingDB Entry DOI: 10.7270/Q21N809J
More data for this
Ligand-Target Pair
Pepsin A-5


(Homo sapiens (Human))
BDBM50064911
PNG
(CHEMBL75352 | {1-[1-((S)-2-Hydroxy-1-propyl-decylc...)
Show SMILES CCCCCCCCC(O)[C@H](CCC)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C28H55N3O5/c1-10-12-13-14-15-16-18-22(32)21(17-11-2)29-25(33)23(19(3)4)30-26(34)24(20(5)6)31-27(35)36-28(7,8)9/h19-24,32H,10-18H2,1-9H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22?,23?,24?/m0/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)


J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50077626
PNG
(CHEMBL294529 | N-{(S)-1-[(S)-1-((S)-2-Hydroxy-1-is...)
Show SMILES CCCCCCC(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
Show InChI InChI=1S/C28H55N3O4/c1-11-12-13-14-15-22(32)21(16-18(2)3)29-26(34)25(20(6)7)31-27(35)24(19(4)5)30-23(33)17-28(8,9)10/h18-22,24-25,32H,11-17H2,1-10H3,(H,29,34)(H,30,33)(H,31,35)/t21-,22?,24-,25-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase


J Med Chem 42: 2041-5 (1999)


Article DOI: 10.1021/jm9807306
BindingDB Entry DOI: 10.7270/Q21N809J
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50077618
PNG
(CHEMBL64893 | {(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobu...)
Show SMILES CCCCCCC(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
Show InChI InChI=1S/C26H51N3O5/c1-10-11-12-13-14-21(30)20(15-16(2)3)27-24(31)22(17(4)5)28-25(32)23(18(6)7)29-26(33)34-19(8)9/h16-23,30H,10-15H2,1-9H3,(H,27,31)(H,28,32)(H,29,33)/t20-,21?,22-,23-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase


J Med Chem 42: 2041-5 (1999)


Article DOI: 10.1021/jm9807306
BindingDB Entry DOI: 10.7270/Q21N809J
More data for this
Ligand-Target Pair
Pepsin A-5


(Homo sapiens (Human))
BDBM50064910
PNG
(CHEMBL80715 | {1-[1-((S)-2-Hydroxy-1-isobutyl-hexy...)
Show SMILES CCCCC(O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C25H49N3O5/c1-11-12-13-19(29)18(14-15(2)3)26-22(30)20(16(4)5)27-23(31)21(17(6)7)28-24(32)33-25(8,9)10/h15-21,29H,11-14H2,1-10H3,(H,26,30)(H,27,31)(H,28,32)/t18-,19?,20?,21?/m0/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)


J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50077625
PNG
((S)-N-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbam...)
Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC)C(C)C)C(C)C
Show InChI InChI=1S/C25H49N3O4/c1-9-11-12-13-14-20(29)19(15-16(3)4)26-24(31)23(18(7)8)28-25(32)22(17(5)6)27-21(30)10-2/h16-20,22-23,29H,9-15H2,1-8H3,(H,26,31)(H,27,30)(H,28,32)/t19-,20?,22-,23-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase


J Med Chem 42: 2041-5 (1999)


Article DOI: 10.1021/jm9807306
BindingDB Entry DOI: 10.7270/Q21N809J
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50077621
PNG
((S)-N-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbam...)
Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C26H51N3O4/c1-10-11-12-13-14-21(30)20(15-16(2)3)27-25(32)22(17(4)5)29-26(33)23(18(6)7)28-24(31)19(8)9/h16-23,30H,10-15H2,1-9H3,(H,27,32)(H,28,31)(H,29,33)/t20-,21?,22-,23-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase


J Med Chem 42: 2041-5 (1999)


Article DOI: 10.1021/jm9807306
BindingDB Entry DOI: 10.7270/Q21N809J
More data for this
Ligand-Target Pair
Pepsin A-5


(Homo sapiens (Human))
BDBM50064906
PNG
(CHEMBL309041 | {1-[1-((S)-1-sec-Butyl-2-hydroxy-de...)
Show SMILES CCCCCCCCC(O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)CC
Show InChI InChI=1S/C29H57N3O5/c1-11-13-14-15-16-17-18-22(33)25(21(7)12-2)31-26(34)23(19(3)4)30-27(35)24(20(5)6)32-28(36)37-29(8,9)10/h19-25,33H,11-18H2,1-10H3,(H,30,35)(H,31,34)(H,32,36)/t21?,22?,23?,24?,25-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)


J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair
Pepsin A-5


(Homo sapiens (Human))
BDBM50064907
PNG
(CHEMBL73965 | {1-[1-((S)-1-sec-Butyl-2-hydroxy-oct...)
Show SMILES CCCCCCC(O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)CC
Show InChI InChI=1S/C27H53N3O5/c1-11-13-14-15-16-20(31)23(19(7)12-2)29-24(32)21(17(3)4)28-25(33)22(18(5)6)30-26(34)35-27(8,9)10/h17-23,31H,11-16H2,1-10H3,(H,28,33)(H,29,32)(H,30,34)/t19?,20?,21?,22?,23-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)


J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair
Pepsin A-5


(Homo sapiens (Human))
BDBM50369360
PNG
(CHEMBL1790562)
Show SMILES CCCCC(O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C)[C@H](C)CC
Show InChI InChI=1S/C25H49N3O5/c1-11-13-14-18(29)21(17(7)12-2)27-22(30)19(15(3)4)26-23(31)20(16(5)6)28-24(32)33-25(8,9)10/h15-21,29H,11-14H2,1-10H3,(H,26,31)(H,27,30)(H,28,32)/t17-,18?,19?,20?,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)


J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair