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Compile Data Set for Download or QSAR

Found 143 hits Enz. Inhib. hit(s) with Target = 'Beta-chymotrypsin'   
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
Beta-chymotrypsin


(Bos taurus)
BDBM50073123
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)
Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073139
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C42H42N4O5/c1-41(2,35(25-19-29-11-7-5-8-12-29)45-37(47)33-21-15-31(27-43)16-22-33)39(49)51-40(50)42(3,4)36(26-20-30-13-9-6-10-14-30)46-38(48)34-23-17-32(28-44)18-24-34/h5-18,21-24,35-36H,19-20,25-26H2,1-4H3,(H,45,47)(H,46,48)
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n/an/a 2.10n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50073139
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C42H42N4O5/c1-41(2,35(25-19-29-11-7-5-8-12-29)45-37(47)33-21-15-31(27-43)16-22-33)39(49)51-40(50)42(3,4)36(26-20-30-13-9-6-10-14-30)46-38(48)34-23-17-32(28-44)18-24-34/h5-18,21-24,35-36H,19-20,25-26H2,1-4H3,(H,45,47)(H,46,48)
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n/an/a 2.10n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073123
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)
Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073123
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)
Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075109
PNG
(1,1-dimethyl-2-phenylcarboxamidoheptanoic anhydrid...)
Show SMILES CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C32H44N2O5/c1-7-9-21-25(33-27(35)23-17-13-11-14-18-23)31(3,4)29(37)39-30(38)32(5,6)26(22-10-8-2)34-28(36)24-19-15-12-16-20-24/h11-20,25-26H,7-10,21-22H2,1-6H3,(H,33,35)(H,34,36)
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n/an/a 5.30n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50142284
PNG
(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)
Show SMILES CCCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)C1Cc2cc3OCCOc3cc2S(=O)(=O)N1CC
Show InChI InChI=1S/C27H33N3O7S/c1-3-5-11-28-27(33)25(31)20(14-18-9-7-6-8-10-18)29-26(32)21-15-19-16-22-23(37-13-12-36-22)17-24(19)38(34,35)30(21)4-2/h6-10,16-17,20-21H,3-5,11-15H2,1-2H3,(H,28,33)(H,29,32)/t20-,21?/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against chymotrypsinogen; Range 1-10 uM


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075107
PNG
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)
Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC
Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 12n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075110
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-phenyl...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C38H34N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-22,31-32H,1-4H3,(H,41,43)(H,42,44)
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n/an/a 15n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50437999
PNG
(CHEMBL2409452)
Show SMILES COC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C17H13N3O5/c1-10-4-3-5-11(8-10)16(21)19-14-7-6-12(20(23)24)9-13(14)15(18-19)17(22)25-2/h3-9H,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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n/an/a 18n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50437997
PNG
(CHEMBL2409457)
Show SMILES CCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C18H15N3O6/c1-3-27-18(23)16-14-10-12(21(24)25)7-8-15(14)20(19-16)17(22)11-5-4-6-13(9-11)26-2/h4-10H,3H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075114
PNG
(1,1-dimethyl-2-phenylcarboxamidooctanoic anhydride...)
Show SMILES CCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C34H48N2O5/c1-7-9-13-23-27(35-29(37)25-19-15-11-16-20-25)33(3,4)31(39)41-32(40)34(5,6)28(24-14-10-8-2)36-30(38)26-21-17-12-18-22-26/h11-12,15-22,27-28H,7-10,13-14,23-24H2,1-6H3,(H,35,37)(H,36,38)
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n/an/a 31n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50438000
PNG
(CHEMBL2409451)
Show SMILES COC(=O)c1nn(C(=O)c2ccccc2)c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C16H11N3O5/c1-24-16(21)14-12-9-11(19(22)23)7-8-13(12)18(17-14)15(20)10-5-3-2-4-6-10/h2-9H,1H3
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n/an/a 31n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50437992
PNG
(CHEMBL2409445)
Show SMILES COC(=O)c1nn(C(=O)c2cccc(C)c2)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C17H13N3O5/c1-10-4-3-5-11(8-10)16(21)19-14-9-12(20(23)24)6-7-13(14)15(18-19)17(22)25-2/h3-9H,1-2H3
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n/an/a 38n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50437998
PNG
(CHEMBL2409456)
Show SMILES CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C18H15N3O5/c1-3-26-18(23)16-14-10-13(21(24)25)7-8-15(14)20(19-16)17(22)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075104
PNG
(1,1-dimethyl-2-phenylcarboxamidononanoic anhydride...)
Show SMILES CCCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C36H52N2O5/c1-7-9-11-19-25-29(37-31(39)27-21-15-13-16-22-27)35(3,4)33(41)43-34(42)36(5,6)30(26-20-12-10-8-2)38-32(40)28-23-17-14-18-24-28/h13-18,21-24,29-30H,7-12,19-20,25-26H2,1-6H3,(H,37,39)(H,38,40)
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n/an/a 44n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50437996
PNG
(CHEMBL2409458)
Show SMILES CCOC(=O)c1nn(C(=O)c2ccsc2)c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O5S/c1-2-23-15(20)13-11-7-10(18(21)22)3-4-12(11)17(16-13)14(19)9-5-6-24-8-9/h3-8H,2H2,1H3
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n/an/a 46n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075118
PNG
(1,1-dimethyl-2-phenylcarboxamidohexanoic anhydride...)
Show SMILES CCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCC)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H40N2O5/c1-7-15-23(31-25(33)21-17-11-9-12-18-21)29(3,4)27(35)37-28(36)30(5,6)24(16-8-2)32-26(34)22-19-13-10-14-20-22/h9-14,17-20,23-24H,7-8,15-16H2,1-6H3,(H,31,33)(H,32,34)
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n/an/a 49n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50289952
PNG
(6-Dimethylamino-5-methyl-2-(1-phenyl-ethylamino)-b...)
Show SMILES C[C@@H](Nc1nc2ccc(N(C)C)c(C)c2c(=O)o1)c1ccccc1
Show InChI InChI=1S/C19H21N3O2/c1-12-16(22(3)4)11-10-15-17(12)18(23)24-19(21-15)20-13(2)14-8-6-5-7-9-14/h5-11,13H,1-4H3,(H,20,21)/t13-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human chymotrypsin


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50437991
PNG
(CHEMBL2409450)
Show SMILES Cc1cccc(c1)C(=O)n1nc(C#N)c2ccccc12
Show InChI InChI=1S/C16H11N3O/c1-11-5-4-6-12(9-11)16(20)19-15-8-3-2-7-13(15)14(10-17)18-19/h2-9H,1H3
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n/an/a 66n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075105
PNG
(1,1-dimethyl-2-phenylcarboxamidopentanoic anhydrid...)
Show SMILES CCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CC)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H36N2O5/c1-7-21(29-23(31)19-15-11-9-12-16-19)27(3,4)25(33)35-26(34)28(5,6)22(8-2)30-24(32)20-17-13-10-14-18-20/h9-18,21-22H,7-8H2,1-6H3,(H,29,31)(H,30,32)
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n/an/a 72n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073127
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)
Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)C
Show InChI InChI=1S/C31H41N3O4/c1-6-7-8-12-15-27(34-28(35)25-18-16-24(21-32)17-19-25)31(4,5)30(37)33-26(29(36)38-22(2)3)20-23-13-10-9-11-14-23/h9-11,13-14,16-19,22,26-27H,6-8,12,15,20H2,1-5H3,(H,33,37)(H,34,35)/t26-,27?/m0/s1
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075106
PNG
(1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...)
Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50289954
PNG
(5-Methyl-2-(1-phenyl-ethylamino)-benzo[d][1,3]oxaz...)
Show SMILES C[C@@H](Nc1nc2cccc(C)c2c(=O)o1)c1ccccc1
Show InChI InChI=1S/C17H16N2O2/c1-11-7-6-10-14-15(11)16(20)21-17(19-14)18-12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human chymotrypsin


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50437994
PNG
(CHEMBL2409571)
Show SMILES CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)CC)cc12
Show InChI InChI=1S/C21H21N3O4/c1-4-18(25)22-15-9-10-17-16(12-15)19(21(27)28-5-2)23-24(17)20(26)14-8-6-7-13(3)11-14/h6-12H,4-5H2,1-3H3,(H,22,25)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50289953
PNG
(2-[1-(4-Bromo-phenyl)-ethylamino]-5-methyl-benzo[d...)
Show SMILES C[C@@H](Nc1nc2cccc(C)c2c(=O)o1)c1ccc(Br)cc1
Show InChI InChI=1S/C17H15BrN2O2/c1-10-4-3-5-14-15(10)16(21)22-17(20-14)19-11(2)12-6-8-13(18)9-7-12/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human chymotrypsin


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075113
PNG
(1,1-dimethyl-2-phenylcarboxamidopropanoic anhydrid...)
Show SMILES CC(C)(CNC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)CNC(=O)c1ccccc1
Show InChI InChI=1S/C24H28N2O5/c1-23(2,15-25-19(27)17-11-7-5-8-12-17)21(29)31-22(30)24(3,4)16-26-20(28)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3,(H,25,27)(H,26,28)
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50437995
PNG
(CHEMBL2409570)
Show SMILES CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(C)=O)cc12
Show InChI InChI=1S/C20H19N3O4/c1-4-27-20(26)18-16-11-15(21-13(3)24)8-9-17(16)23(22-18)19(25)14-7-5-6-12(2)10-14/h5-11H,4H2,1-3H3,(H,21,24)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50289955
PNG
(5-Methyl-2-(1-phenyl-ethylamino)-benzo[d][1,3]oxaz...)
Show SMILES C[C@H](Nc1nc2cccc(C)c2c(=O)o1)c1ccccc1
Show InChI InChI=1S/C17H16N2O2/c1-11-7-6-10-14-15(11)16(20)21-17(19-14)18-12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human chymotrypsin


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075116
PNG
(2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-(2-met...)
Show SMILES Cc1ccccc1C(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1C
Show InChI InChI=1S/C40H38N4O5/c1-25-11-7-9-13-31(25)33(43-35(45)29-19-15-27(23-41)16-20-29)39(3,4)37(47)49-38(48)40(5,6)34(32-14-10-8-12-26(32)2)44-36(46)30-21-17-28(24-42)18-22-30/h7-22,33-34H,1-6H3,(H,43,45)(H,44,46)
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075111
PNG
(2-(4-cyanophenylcarboxamido)-2-cyclohex-3-enyl-1,1...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1
Show InChI InChI=1S/C38H42N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-7,9,15-22,27-28,31-32H,8,10-14H2,1-4H3,(H,41,43)(H,42,44)
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073126
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)
Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCCC
Show InChI InChI=1S/C31H41N3O4/c1-5-7-8-12-15-27(34-28(35)25-18-16-24(22-32)17-19-25)31(3,4)30(37)33-26(29(36)38-20-6-2)21-23-13-10-9-11-14-23/h9-11,13-14,16-19,26-27H,5-8,12,15,20-21H2,1-4H3,(H,33,37)(H,34,35)/t26-,27?/m0/s1
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073141
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-5-phe...)
Show SMILES CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C32H35N3O4/c1-4-39-30(37)27(21-24-13-9-6-10-14-24)34-31(38)32(2,3)28(20-17-23-11-7-5-8-12-23)35-29(36)26-18-15-25(22-33)16-19-26/h5-16,18-19,27-28H,4,17,20-21H2,1-3H3,(H,34,38)(H,35,36)/t27-,28?/m0/s1
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075108
PNG
(2-(2-chlorophenyl)-2-(4-cyanophenylcarboxamido)-1,...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl
Show InChI InChI=1S/C38H32Cl2N4O5/c1-37(2,31(27-9-5-7-11-29(27)39)43-33(45)25-17-13-23(21-41)14-18-25)35(47)49-36(48)38(3,4)32(28-10-6-8-12-30(28)40)44-34(46)26-19-15-24(22-42)16-20-26/h5-20,31-32H,1-4H3,(H,43,45)(H,44,46)
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50437993
PNG
(CHEMBL2409575)
Show SMILES CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)C3CC3)cc12
Show InChI InChI=1S/C22H21N3O4/c1-3-29-22(28)19-17-12-16(23-20(26)14-7-8-14)9-10-18(17)25(24-19)21(27)15-6-4-5-13(2)11-15/h4-6,9-12,14H,3,7-8H2,1-2H3,(H,23,26)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075107
PNG
(1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...)
Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC
Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50070440
PNG
(CHEMBL35762 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-o...)
Show SMILES CC(C)C[C@@H](CSC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O5S/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)37-28(6,7)8)17-38-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50075112
PNG
(1,1-dimethyl-2-propylcarboxamidooctanoic anhydride...)
Show SMILES CCCCCC(NC(=O)CCC)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)CCC
Show InChI InChI=1S/C28H52N2O5/c1-9-13-15-19-21(29-23(31)17-11-3)27(5,6)25(33)35-26(34)28(7,8)22(20-16-14-10-2)30-24(32)18-12-4/h21-22H,9-20H2,1-8H3,(H,29,31)(H,30,32)
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)


Bioorg Med Chem Lett 9: 413-8 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073128
PNG
((S)-2-(3-tert-Butoxycarbonylamino-2,2-dimethyl-non...)
Show SMILES CCCCCCC(NC(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C27H44N2O5/c1-8-10-11-15-18-22(29-25(32)34-26(3,4)5)27(6,7)24(31)28-21(23(30)33-9-2)19-20-16-13-12-14-17-20/h12-14,16-17,21-22H,8-11,15,18-19H2,1-7H3,(H,28,31)(H,29,32)/t21-,22?/m0/s1
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Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073125
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)
Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
Show InChI InChI=1S/C29H37N3O4/c1-5-6-7-11-14-25(32-26(33)23-17-15-22(20-30)16-18-23)29(2,3)28(35)31-24(27(34)36-4)19-21-12-9-8-10-13-21/h8-10,12-13,15-18,24-25H,5-7,11,14,19H2,1-4H3,(H,31,35)(H,32,33)/t24-,25?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073133
PNG
((S)-2-[3-(3,5-Difluoro-benzoylamino)-2,2-dimethyl-...)
Show SMILES CCCCCCC(NC(=O)c1cc(F)cc(F)c1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C29H38F2N2O4/c1-5-7-8-12-15-25(33-26(34)21-17-22(30)19-23(31)18-21)29(3,4)28(36)32-24(27(35)37-6-2)16-20-13-10-9-11-14-20/h9-11,13-14,17-19,24-25H,5-8,12,15-16H2,1-4H3,(H,32,36)(H,33,34)/t24-,25?/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50070444
PNG
((3R,4S)-3-Methyl-2-oxo-4-(pyridin-2-ylmethylsulfan...)
Show SMILES CC[C@@H](NC(=O)N1[C@@H](SCc2ccccn2)[C@H](C)C1=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-3-17(15-9-5-4-6-10-15)22-20(25)23-18(24)14(2)19(23)26-13-16-11-7-8-12-21-16/h4-12,14,17,19H,3,13H2,1-2H3,(H,22,25)/t14-,17-,19+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50063719
PNG
(2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...)
Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human chymotrypsin


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073129
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2,4-trimethyl-pe...)
Show SMILES CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)C(C)C
Show InChI InChI=1S/C27H33N3O4/c1-6-34-25(32)22(16-19-10-8-7-9-11-19)29-26(33)27(4,5)23(18(2)3)30-24(31)21-14-12-20(17-28)13-15-21/h7-15,18,22-23H,6,16H2,1-5H3,(H,29,33)(H,30,31)/t22-,23?/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50289948
PNG
(2-Dimethylamino-N-[5-methyl-4-oxo-2-(1-phenyl-ethy...)
Show SMILES C[C@@H](Nc1nc2ccc(NC(=O)CN(C)C)c(C)c2c(=O)o1)c1ccccc1
Show InChI InChI=1S/C21H24N4O3/c1-13-16(23-18(26)12-25(3)4)10-11-17-19(13)20(27)28-21(24-17)22-14(2)15-8-6-5-7-9-15/h5-11,14H,12H2,1-4H3,(H,22,24)(H,23,26)/t14-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human chymotrypsin


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073137
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-penta...)
Show SMILES CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H31N3O4/c1-5-22(29-23(30)20-14-12-19(17-27)13-15-20)26(3,4)25(32)28-21(24(31)33-6-2)16-18-10-8-7-9-11-18/h7-15,21-22H,5-6,16H2,1-4H3,(H,28,32)(H,29,30)/t21-,22?/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50289950
PNG
(4-Methoxy-N-[5-methyl-4-oxo-2-(1-phenyl-ethylamino...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2nc(N[C@H](C)c3ccccc3)oc(=O)c2c1C
Show InChI InChI=1S/C24H23N3O5S/c1-15-20(27-33(29,30)19-11-9-18(31-3)10-12-19)13-14-21-22(15)23(28)32-24(26-21)25-16(2)17-7-5-4-6-8-17/h4-14,16,27H,1-3H3,(H,25,26)/t16-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human chymotrypsin


Citation and Details
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens)
BDBM50139465
PNG
(((S)-1-Mercaptomethyl-2-phenyl-ethyl)-carbamic aci...)
Show SMILES SC[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H19NO2S/c19-17(20-12-15-9-5-2-6-10-15)18-16(13-21)11-14-7-3-1-4-8-14/h1-10,16,21H,11-13H2,(H,18,19)/t16-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against chymotrypsinogen in the presence of Zn(II) (500 microM)


Bioorg Med Chem Lett 14: 701-5 (2004)

More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Bos taurus)
BDBM50073130
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-penta...)
Show SMILES CCCCCCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C36H51N3O4/c1-5-7-8-9-10-11-12-13-14-18-21-32(39-33(40)30-24-22-29(27-37)23-25-30)36(3,4)35(42)38-31(34(41)43-6-2)26-28-19-16-15-17-20-28/h15-17,19-20,22-25,31-32H,5-14,18,21,26H2,1-4H3,(H,38,42)(H,39,40)/t31-,32?/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.


Citation and Details
More data for this
Ligand-Target Pair
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