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Compile Data Set for Download or QSAR

Found 421 hits Enz. Inhib. hit(s) with Target = 'alpha-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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50058977
PNG
(3-Benzoyl-1-phenyl-imidazolidine-2,4-dione | CHEMB...)
Show SMILES Oc1cn(-c2ccccc2)c(=O)n1C(=O)c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-14-11-17(13-9-5-2-6-10-13)16(21)18(14)15(20)12-7-3-1-4-8-12/h1-11,19H
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n/an/a 48n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50093745
PNG
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)
Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was measured against alpha-chymotrypsin


Bioorg Med Chem Lett 10: 2403-6 (2001)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50059002
PNG
(3-(4-Chloro-benzenesulfonyl)-1-(3-chloro-phenyl)-i...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H10Cl2N2O4S/c16-10-4-6-13(7-5-10)24(22,23)19-14(20)9-18(15(19)21)12-3-1-2-11(17)8-12/h1-8H,9H2
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n/an/a 200n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50059013
PNG
(3-(4-Chloro-benzoyl)-1-phenyl-imidazolidine-2,4-di...)
Show SMILES Oc1cn(-c2ccccc2)c(=O)n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClN2O3/c17-12-8-6-11(7-9-12)15(21)19-14(20)10-18(16(19)22)13-4-2-1-3-5-13/h1-10,20H
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n/an/a 230n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50312532
PNG
(CHEMBL1077010 | molassamide)
Show SMILES CCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC1=O)=C\C)C2=O)C(C)C
Show InChI InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
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n/an/a 234n/an/an/an/an/an/a



Smithsonian Marine Station at Ft. Pierce

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreas alpha-chymotrypsin preincubated for 10 mins by spectrophotometry


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


(Bos taurus (bovine))
BDBM50059011
PNG
(3-(4-Chloro-benzenesulfonyl)-1-(4-chloro-phenyl)-i...)
Show SMILES Clc1ccc(cc1)N1CC(=O)N(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10Cl2N2O4S/c16-10-1-5-12(6-2-10)18-9-14(20)19(15(18)21)24(22,23)13-7-3-11(17)4-8-13/h1-8H,9H2
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n/an/a 500n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50118030
PNG
(4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H27N5O4S/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12/h9-12,15-17,20H,4-8H2,1-3H3/t15-,16+,17-/m1/s1
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n/an/a 540n/an/an/an/an/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Chymotrypsinogen using selectivity assay


J Med Chem 45: 3878-90 (2002)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50058975
PNG
(3-(2,5-Dioxo-3-phenyl-imidazolidine-1-sulfonyl)-be...)
Show SMILES O=C1CN(C(=O)N1S(=O)(=O)c1cccc(c1)C#N)c1ccccc1
Show InChI InChI=1S/C16H11N3O4S/c17-10-12-5-4-8-14(9-12)24(22,23)19-15(20)11-18(16(19)21)13-6-2-1-3-7-13/h1-9H,11H2
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n/an/a 730n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50066999
PNG
((S)-3,3-Diethyl-2-[4-(4-methyl-piperazine-1-carbon...)
Show SMILES CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1
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n/an/a 980n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Chymotrypsinogen with a preincubation time of 15 min


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


(Bos taurus (bovine))
BDBM50059012
PNG
(3-(4-Chloro-benzenesulfonyl)-1-phenyl-imidazolidin...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O4S/c16-11-6-8-13(9-7-11)23(21,22)18-14(19)10-17(15(18)20)12-4-2-1-3-5-12/h1-9H,10H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058997
PNG
(1-Phenyl-3-(toluene-2-sulfonyl)-imidazolidine-2,4-...)
Show SMILES Cc1ccccc1S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C16H14N2O4S/c1-12-7-5-6-10-14(12)23(21,22)18-15(19)11-17(16(18)20)13-8-3-2-4-9-13/h2-10H,11H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058993
PNG
(3-(2-Chloro-benzenesulfonyl)-1-phenyl-imidazolidin...)
Show SMILES Clc1ccccc1S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O4S/c16-12-8-4-5-9-13(12)23(21,22)18-14(19)10-17(15(18)20)11-6-2-1-3-7-11/h1-9H,10H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50059009
PNG
(3-Benzenesulfonyl-1-phenyl-imidazolidine-2,4-dione...)
Show SMILES O=C1CN(C(=O)N1S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2O4S/c18-14-11-16(12-7-3-1-4-8-12)15(19)17(14)22(20,21)13-9-5-2-6-10-13/h1-10H,11H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058967
PNG
(3-(3-Phenoxy-benzenesulfonyl)-1-phenyl-imidazolidi...)
Show SMILES O=C1CN(C(=O)N1S(=O)(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C21H16N2O5S/c24-20-15-22(16-8-3-1-4-9-16)21(25)23(20)29(26,27)19-13-7-12-18(14-19)28-17-10-5-2-6-11-17/h1-14H,15H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058965
PNG
(3-[3-(4-Methyl-piperazine-1-carbonyl)-benzenesulfo...)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C21H22N4O5S/c1-22-10-12-23(13-11-22)20(27)16-6-5-9-18(14-16)31(29,30)25-19(26)15-24(21(25)28)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50070010
PNG
(4-((2R,3R)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetid...)
Show SMILES C[C@@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NCc2ccccc2)C1=O
Show InChI InChI=1S/C19H18N2O5/c1-12-16(22)21(19(25)20-11-13-5-3-2-4-6-13)17(12)26-15-9-7-14(8-10-15)18(23)24/h2-10,12,17H,11H2,1H3,(H,20,25)(H,23,24)/t12-,17+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit the mammalian Chymotrypsinogen by 50% was determined


Bioorg Med Chem Lett 8: 365-70 (1999)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50058994
PNG
(3-(2,5-Dioxo-3-phenyl-imidazolidine-1-sulfonyl)-be...)
Show SMILES COC(=O)c1cccc(c1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C17H14N2O6S/c1-25-16(21)12-6-5-9-14(10-12)26(23,24)19-15(20)11-18(17(19)22)13-7-3-2-4-8-13/h2-10H,11H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50059007
PNG
(4-(2,5-Dioxo-3-phenyl-imidazolidine-1-sulfonyl)-be...)
Show SMILES COC(=O)c1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C17H14N2O6S/c1-25-16(21)12-7-9-14(10-8-12)26(23,24)19-15(20)11-18(17(19)22)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058964
PNG
(3-(3,4-Dimethyl-benzenesulfonyl)-1-phenyl-imidazol...)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C17H16N2O4S/c1-12-8-9-15(10-13(12)2)24(22,23)19-16(20)11-18(17(19)21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50085342
PNG
(CHEMBL61059 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC
Show InChI InChI=1S/C21H24ClNO4/c1-26-19-10-6-9-16(21(19)27-2)11-12-20(25)23-17(18(24)14-22)13-15-7-4-3-5-8-15/h3-10,17H,11-14H2,1-2H3,(H,23,25)/t17-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 199-201 (2000)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50085366
PNG
(CHEMBL292834 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C20H22ClNO3/c1-25-17-10-7-15(8-11-17)9-12-20(24)22-18(19(23)14-21)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,22,24)/t18-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 199-201 (2000)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50065899
PNG
((2S,3S)-2-Benzyl-3-methylsulfanyl-4-oxo-azetidine-...)
Show SMILES CS[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O
Show InChI InChI=1S/C18H19N3O2S/c1-24-16-15(11-13-5-3-2-4-6-13)21(17(16)22)18(23)20-12-14-7-9-19-10-8-14/h2-10,15-16H,11-12H2,1H3,(H,20,23)/t15-,16-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its activity against bovine pancreatic Alpha-chymotrypsin (BPC)


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


(Bos taurus (bovine))
BDBM50059005
PNG
(3-(4-Bromo-benzenesulfonyl)-1-phenyl-imidazolidine...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C15H11BrN2O4S/c16-11-6-8-13(9-7-11)23(21,22)18-14(19)10-17(15(18)20)12-4-2-1-3-5-12/h1-9H,10H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058998
PNG
(3-(4-Fluoro-benzenesulfonyl)-1-phenyl-imidazolidin...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C15H11FN2O4S/c16-11-6-8-13(9-7-11)23(21,22)18-14(19)10-17(15(18)20)12-4-2-1-3-5-12/h1-9H,10H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50085356
PNG
(CHEMBL61933 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES COc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
Show InChI InChI=1S/C20H22ClNO3/c1-25-19-10-6-5-9-16(19)11-12-20(24)22-17(18(23)14-21)13-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,22,24)/t17-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 199-201 (2000)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50118028
PNG
(3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Chymotrypsinogen using selectivity assay


J Med Chem 45: 3878-90 (2002)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50059003
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-1-(3,4-dichloro-p...)
Show SMILES Clc1ccc(cc1Cl)N1CC(=O)N(C1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H8Cl4N2O4S/c16-10-3-1-8(5-12(10)18)20-7-14(22)21(15(20)23)26(24,25)9-2-4-11(17)13(19)6-9/h1-6H,7H2
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n/an/a 3.70E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058983
PNG
(3-(3-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidi...)
Show SMILES COc1cccc(c1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C16H14N2O5S/c1-23-13-8-5-9-14(10-13)24(21,22)18-15(19)11-17(16(18)20)12-6-3-2-4-7-12/h2-10H,11H2,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058973
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-1-phenyl-imidazol...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C15H10Cl2N2O4S/c16-12-7-6-11(8-13(12)17)24(22,23)19-14(20)9-18(15(19)21)10-4-2-1-3-5-10/h1-8H,9H2
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n/an/a 3.80E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50066998
PNG
((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES CCOC(=O)N1CC[C@@H]2OC(=O)[C@H](CC=C)C12
Show InChI InChI=1S/C12H17NO4/c1-3-5-8-10-9(17-11(8)14)6-7-13(10)12(15)16-4-2/h3,8-10H,1,4-7H2,2H3/t8-,9+,10?/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Chymotrypsinogen with a preincubation time of 15 min


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


(Bos taurus (bovine))
BDBM50058996
PNG
(3-(4-Chloro-benzenesulfonyl)-1-(3,4-dichloro-pheny...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H9Cl3N2O4S/c16-9-1-4-11(5-2-9)25(23,24)20-14(21)8-19(15(20)22)10-3-6-12(17)13(18)7-10/h1-7H,8H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50015857
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-phenylacetoxy-5lamb...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(=O)Cc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H25NO9S/c1-13(24)30-11-15-12-33(28,29)20-18(31-16(25)10-14-8-6-5-7-9-14)19(26)23(20)17(15)21(27)32-22(2,3)4/h5-9,18,20H,10-12H2,1-4H3/t18-,20+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of alpha-chymotrypsin enzyme


J Med Chem 33: 2513-21 (1990)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50058971
PNG
(CHEMBL304338 | [3-(2,5-Dioxo-3-phenyl-imidazolidin...)
Show SMILES COC(=O)Cc1cccc(c1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C18H16N2O6S/c1-26-17(22)11-13-6-5-9-15(10-13)27(24,25)20-16(21)12-19(18(20)23)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50118029
PNG
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)
Show SMILES Cl.CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)\C=C\CN2CCCCC2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Chymotrypsinogen using selectivity assay


J Med Chem 45: 3878-90 (2002)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50085346
PNG
(CHEMBL294290 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-18(24)17(11-13-4-2-1-3-5-13)23-19(25)9-7-14-6-8-15(21)16(22)10-14/h1-6,8,10,17H,7,9,11-12H2,(H,23,25)/t17-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 199-201 (2000)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50066996
PNG
((3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES C=CC[C@H]1C2[C@H](CCN2C(=O)OCc2ccccc2)OC1=O
Show InChI InChI=1S/C17H19NO4/c1-2-6-13-15-14(22-16(13)19)9-10-18(15)17(20)21-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14-,15?/m0/s1
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n/an/a 4.86E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Chymotrypsinogen with a preincubation time of 15 min


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


(Bos taurus (bovine))
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against alpha-chymotrypsin


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


(Bos taurus (bovine))
BDBM50085361
PNG
(CHEMBL59998 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Oc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-14-5-2-1-3-6-14)21-19(24)10-9-15-7-4-8-16(22)11-15/h1-8,11,17,22H,9-10,12-13H2,(H,21,24)/t17-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 199-201 (2000)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50059006
PNG
(3-(4-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C16H14N2O5S/c1-23-13-7-9-14(10-8-13)24(21,22)18-15(19)11-17(16(18)20)12-5-3-2-4-6-12/h2-10H,11H2,1H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM222139
PNG
(Chymostatin)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCN=C(N)N1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23?,24-,25-,26-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The α-chymotrypsin inhibition activity was evaluated in 50 mM Tris-HCl buffer pH 7.6 with 10 mM CaCl2. α-Chymotrypsin (bovine pancreas) at ...


Bioorg Chem 70: 210-221 (2017)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50065866
PNG
((2S,3S)-3-Allyl-2-benzyl-4-oxo-azetidine-1-carboxy...)
Show SMILES C=CC[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O
Show InChI InChI=1S/C20H21N3O2/c1-2-6-17-18(13-15-7-4-3-5-8-15)23(19(17)24)20(25)22-14-16-9-11-21-12-10-16/h2-5,7-12,17-18H,1,6,13-14H2,(H,22,25)/t17-,18-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its activity against bovine pancreatic Alpha-chymotrypsin (BPC)


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


(Bos taurus (bovine))
BDBM50058995
PNG
(3-[4-(4-Methyl-piperazine-1-carbonyl)-benzenesulfo...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C21H22N4O5S/c1-22-11-13-23(14-12-22)20(27)16-7-9-18(10-8-16)31(29,30)25-19(26)15-24(21(25)28)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50289012
PNG
(2-(2-Fluoro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-...)
Show SMILES Fc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8FNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The α-chymotrypsin inhibition activity was evaluated in 50 mM Tris-HCl buffer pH 7.6 with 10 mM CaCl2. α-Chymotrypsin (bovine pancreas) at ...


Bioorg Chem 70: 210-221 (2017)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50059004
PNG
(1-Phenyl-3-(toluene-4-sulfonyl)-imidazolidine-2,4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C16H14N2O4S/c1-12-7-9-14(10-8-12)23(21,22)18-15(19)11-17(16(18)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058966
PNG
(3-(4-Phenoxy-benzenesulfonyl)-1-phenyl-imidazolidi...)
Show SMILES O=C1CN(C(=O)N1S(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C21H16N2O5S/c24-20-15-22(16-7-3-1-4-8-16)21(25)23(20)29(26,27)19-13-11-18(12-14-19)28-17-9-5-2-6-10-17/h1-14H,15H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058989
PNG
(3-(4-Nitro-benzenesulfonyl)-1-phenyl-imidazolidine...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C15H11N3O6S/c19-14-10-16(11-4-2-1-3-5-11)15(20)17(14)25(23,24)13-8-6-12(7-9-13)18(21)22/h1-9H,10H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50058979
PNG
(3-(2,5-Dioxo-3-phenyl-imidazolidine-1-sulfonyl)-be...)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C16H12N2O6S/c19-14-10-17(12-6-2-1-3-7-12)16(22)18(14)25(23,24)13-8-4-5-11(9-13)15(20)21/h1-9H,10H2,(H,20,21)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


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


(Bos taurus (bovine))
BDBM50085362
PNG
(CHEMBL64494 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C19H18ClNO2/c20-14-18(22)17(13-16-9-5-2-6-10-16)21-19(23)12-11-15-7-3-1-4-8-15/h1-12,17H,13-14H2,(H,21,23)/b12-11+/t17-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 199-201 (2000)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50085360
PNG
(CHEMBL302387 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C17H16ClNO2/c18-12-16(20)15(11-13-7-3-1-4-8-13)19-17(21)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)/t15-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 199-201 (2000)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50289000
PNG
(2-(2-Methoxy-phenyl)-benzo[d][1,3]oxazin-4-one | 2...)
Show SMILES COc1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H11NO3/c1-18-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(17)19-14/h2-9H,1H3
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n/an/a 9.90E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The α-chymotrypsin inhibition activity was evaluated in 50 mM Tris-HCl buffer pH 7.6 with 10 mM CaCl2. α-Chymotrypsin (bovine pancreas) at ...


Bioorg Chem 70: 210-221 (2017)

More data for this
Ligand-Target Pair
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