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Found 20 hits Enz. Inhib. hit(s) with Target = 'Beta-chymotrypsin' AND taxid = 9913   
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


(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


(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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n/an/a 86n/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)
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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n/an/a 230n/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)
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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n/an/a 250n/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)
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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n/an/a 1.00E+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)
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


(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


(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


(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
Beta-chymotrypsin


(Bos taurus)
BDBM50073135
PNG
((S)-2-[3-(3,5-Dichloro-benzoylamino)-2,2-dimethyl-...)
Show SMILES CCCCCCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C29H38Cl2N2O4/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 7.00E+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)
BDBM50073132
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-undec...)
Show SMILES CCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C32H43N3O4/c1-5-7-8-9-10-14-17-28(35-29(36)26-20-18-25(23-33)19-21-26)32(3,4)31(38)34-27(30(37)39-6-2)22-24-15-12-11-13-16-24/h11-13,15-16,18-21,27-28H,5-10,14,17,22H2,1-4H3,(H,34,38)(H,35,36)/t27-,28?/m0/s1
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n/an/a 8.60E+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)
BDBM50073140
PNG
((S)-2-{3-[(Furan-2-carbonyl)-amino]-2,2-dimethyl-n...)
Show SMILES CCCCCCC(NC(=O)c1ccco1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C27H38N2O5/c1-5-7-8-12-17-23(29-24(30)22-16-13-18-34-22)27(3,4)26(32)28-21(25(31)33-6-2)19-20-14-10-9-11-15-20/h9-11,13-16,18,21,23H,5-8,12,17,19H2,1-4H3,(H,28,32)(H,29,30)/t21-,23?/m0/s1
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n/an/a 1.20E+4n/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)
BDBM50073131
PNG
((S)-2-(3-Benzoylamino-2,2-dimethyl-nonanoylamino)-...)
Show SMILES CCCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C29H40N2O4/c1-5-7-8-15-20-25(31-26(32)23-18-13-10-14-19-23)29(3,4)28(34)30-24(27(33)35-6-2)21-22-16-11-9-12-17-22/h9-14,16-19,24-25H,5-8,15,20-21H2,1-4H3,(H,30,34)(H,31,32)/t24-,25?/m0/s1
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n/an/a 1.70E+4n/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)
BDBM50073134
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-hepta...)
Show SMILES CCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C28H35N3O4/c1-5-7-13-24(31-25(32)22-16-14-21(19-29)15-17-22)28(3,4)27(34)30-23(26(33)35-6-2)18-20-11-9-8-10-12-20/h8-12,14-17,23-24H,5-7,13,18H2,1-4H3,(H,30,34)(H,31,32)/t23-,24?/m0/s1
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n/an/a 2.70E+4n/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)
BDBM50073138
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)C
Show InChI InChI=1S/C32H43N3O4/c1-7-8-9-13-16-27(35-28(36)25-19-17-24(22-33)18-20-25)32(5,6)30(38)34-26(29(37)39-31(2,3)4)21-23-14-11-10-12-15-23/h10-12,14-15,17-20,26-27H,7-9,13,16,21H2,1-6H3,(H,34,38)(H,35,36)/t26-,27?/m0/s1
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n/an/a 7.30E+4n/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)
BDBM50073136
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)OCc1ccccc1
Show InChI InChI=1S/C35H41N3O4/c1-4-5-6-13-18-31(38-32(39)29-21-19-27(24-36)20-22-29)35(2,3)34(41)37-30(23-26-14-9-7-10-15-26)33(40)42-25-28-16-11-8-12-17-28/h7-12,14-17,19-22,30-31H,4-6,13,18,23,25H2,1-3H3,(H,37,41)(H,38,39)/t30-,31?/m0/s1
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PubMed
n/an/a 2.30E+5n/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