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Compile Data Set for Download or QSAR

Found 261 hits Enz. Inhib. hit(s) with Target = 'Chymotrypsin C'   
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
Chymotrypsin


(Homo sapiens (human))
BDBM50018175
PNG
(CHEMBL22389 | N-{1-Benzyl-2-[(pyridine-3-carbonyl)...)
Show SMILES O=C(NN=CC(Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H20N4O2/c27-21(18-10-5-2-6-11-18)25-20(14-17-8-3-1-4-9-17)16-24-26-22(28)19-12-7-13-23-15-19/h1-13,15-16,20H,14H2,(H,25,27)(H,26,28)
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3.10E+4n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5


J Med Chem 32: 1253-9 (1989)


Article DOI: 10.1021/jm00126a018
BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin C


(Homo sapiens (human))
BDBM50018175
PNG
(CHEMBL22389 | N-{1-Benzyl-2-[(pyridine-3-carbonyl)...)
Show SMILES O=C(NN=CC(Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H20N4O2/c27-21(18-10-5-2-6-11-18)25-20(14-17-8-3-1-4-9-17)16-24-26-22(28)19-12-7-13-23-15-19/h1-13,15-16,20H,14H2,(H,25,27)(H,26,28)
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4.80E+4n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7.8


J Med Chem 32: 1253-9 (1989)


Article DOI: 10.1021/jm00126a018
BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin C


(Homo sapiens (human))
BDBM50018174
PNG
(CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1
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4.80E+4n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5.5


J Med Chem 32: 1253-9 (1989)


Article DOI: 10.1021/jm00126a018
BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50018173
PNG
(CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1
Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1
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>8.00E+6n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5


J Med Chem 32: 1253-9 (1989)


Article DOI: 10.1021/jm00126a018
BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50018174
PNG
(CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1
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3.10E+4n/an/an/an/an/an/a7.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Initial rate of reaction between Chymotrypsinogen and BzArg p-nitro-anilide in the presence of 400 microM of the compound at pH 7


J Med Chem 32: 1253-9 (1989)


Article DOI: 10.1021/jm00126a018
BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113248
PNG
(US9695194, 7)
Show SMILES Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H12ClNO4/c18-12-5-2-1-4-10(12)16-19-13-9-15-14(21-6-3-7-22-15)8-11(13)17(20)23-16/h1-2,4-5,8-9H,3,6-7H2
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<100<-41.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113300
PNG
(US9695194, 16)
Show SMILES Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
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<100<-41.6n/an/an/an/an/a7.237



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US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113299
PNG
(US9695194, 15)
Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3
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<100<-41.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113297
PNG
(US9695194, 14)
Show SMILES CS(=O)(=O)c1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H13NO6S/c1-25(20,21)15-5-3-2-4-10(15)16-18-12-9-14-13(22-6-7-23-14)8-11(12)17(19)24-16/h2-5,8-9H,6-7H2,1H3
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<100<-41.6n/an/an/an/an/a7.237



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US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113296
PNG
(US9695194, 13)
Show SMILES COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3
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<100<-41.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113283
PNG
(US9695194, 8)
Show SMILES COc1ccc(c(OC)c1)-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C19H17NO6/c1-22-11-4-5-12(15(8-11)23-2)18-20-14-10-17-16(24-6-3-7-25-17)9-13(14)19(21)26-18/h4-5,8-10H,3,6-7H2,1-2H3
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<100<-41.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113119
PNG
(US9695194, 6)
Show SMILES COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO5/c1-21-14-6-3-2-5-11(14)17-19-13-10-16-15(22-7-4-8-23-16)9-12(13)18(20)24-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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<100<-41.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113293
PNG
(US9695194, 10)
Show SMILES CS(=O)(=O)c1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO6S/c1-26(21,22)16-6-3-2-5-11(16)17-19-13-10-15-14(23-7-4-8-24-15)9-12(13)18(20)25-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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200 -39.8n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113292
PNG
(US9695194, 9)
Show SMILES CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO4S/c1-24-16-6-3-2-5-11(16)17-19-13-10-15-14(21-7-4-8-22-15)9-12(13)18(20)23-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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400 -38.0n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113295
PNG
(US9695194, 12)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC
Show InChI InChI=1S/C17H15NO4S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-17(11)19)10-6-4-5-7-15(10)23-3/h4-9H,1-3H3
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600 -36.9n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113294
PNG
(US9695194, 11)
Show SMILES CC(C)c1ccc(-c2nc3cc4OCCCOc4cc3c(=O)o2)c(c1)C(C)C
Show InChI InChI=1S/C23H25NO4/c1-13(2)15-6-7-16(17(10-15)14(3)4)22-24-19-12-21-20(26-8-5-9-27-21)11-18(19)23(25)28-22/h6-7,10-14H,5,8-9H2,1-4H3
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1.00E+3 -35.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113301
PNG
(US9695194, 17)
Show SMILES COc1ccc(c(OC)c1)-c1nc2cc(OC)c(OC)cc2c(=O)o1
Show InChI InChI=1S/C18H17NO6/c1-21-10-5-6-11(14(7-10)22-2)17-19-13-9-16(24-4)15(23-3)8-12(13)18(20)25-17/h5-9H,1-4H3
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1.20E+3 -35.2n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113060
PNG
(US9695194, 1)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1SC
Show InChI InChI=1S/C18H17NO4S/c1-4-22-15-9-12-13(10-14(15)21-2)19-17(23-18(12)20)11-7-5-6-8-16(11)24-3/h5-10H,4H2,1-3H3
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>1.00E+4>-29.7n/an/an/an/an/a7.237



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US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50289001
PNG
(2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
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US Patent
>1.00E+4>-29.7n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113069
PNG
(US9695194, 5)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC
Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3
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US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113068
PNG
(US9695194, 4)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C18H17NO6S/c1-4-24-15-9-12-13(10-14(15)23-2)19-17(25-18(12)20)11-7-5-6-8-16(11)26(3,21)22/h5-10H,4H2,1-3H3
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US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113067
PNG
(US9695194, 3)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C19H19NO6/c1-5-25-17-9-13-14(10-16(17)24-4)20-18(26-19(13)21)12-7-6-11(22-2)8-15(12)23-3/h6-10H,5H2,1-4H3
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>1.00E+4>-29.7n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113065
PNG
(US9695194, 2)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3
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>1.00E+4>-29.7n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93332
PNG
(QN-33)
Show SMILES CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3CCCCCC(=O)NCCN)ccc12
Show InChI InChI=1S/C33H36N4O/c1-2-36-31-13-8-6-11-28(31)29-24-25(16-20-32(29)36)15-18-27-19-17-26-10-5-7-12-30(26)37(27)23-9-3-4-14-33(38)35-22-21-34/h5-8,10-13,15-20,24H,2-4,9,14,21-23,34H2,1H3/p+1
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n/an/an/a 2.53E+4n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93334
PNG
(Sul-33)
Show SMILES CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3CCCCS([O-])(=O)=O)ccc12
Show InChI InChI=1S/C29H28N2O3S/c1-2-30-28-12-6-4-10-25(28)26-21-22(14-18-29(26)30)13-16-24-17-15-23-9-3-5-11-27(23)31(24)19-7-8-20-35(32,33)34/h3-6,9-18,21H,2,7-8,19-20H2,1H3
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n/an/an/a 3.51E+5n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93333
PNG
(Met-33)
Show SMILES CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3C)ccc12
Show InChI InChI=1S/C26H23N2/c1-3-28-25-11-7-5-9-22(25)23-18-19(13-17-26(23)28)12-15-21-16-14-20-8-4-6-10-24(20)27(21)2/h4-18H,3H2,1-2H3/q+1
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n/an/an/a 1.10E+5n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93335
PNG
(QN-49)
Show SMILES NCCNC(=O)CCCCC[n+]1c(\C=C\c2c([nH]c3ccccc23)-c2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C33H34N4O/c34-22-23-35-32(38)17-5-2-10-24-37-27(19-18-25-11-6-9-16-31(25)37)20-21-29-28-14-7-8-15-30(28)36-33(29)26-12-3-1-4-13-26/h1,3-4,6-9,11-16,18-21H,2,5,10,17,22-24,34H2,(H,35,38)/p+1
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n/an/an/a 2.24E+4n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93336
PNG
(Met-49)
Show SMILES C[n+]1c(\C=C\c2c([nH]c3ccccc23)-c2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C26H20N2/c1-28-21(16-15-19-9-5-8-14-25(19)28)17-18-23-22-12-6-7-13-24(22)27-26(23)20-10-3-2-4-11-20/h2-18H,1H3/p+1
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n/an/an/a 4.10E+4n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93337
PNG
(Sul-49)
Show SMILES [O-]S(=O)(=O)CCCC[n+]1c(\C=C\c2c([nH]c3ccccc23)-c2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C29H26N2O3S/c32-35(33,34)21-9-8-20-31-24(17-16-22-10-4-7-15-28(22)31)18-19-26-25-13-5-6-14-27(25)30-29(26)23-11-2-1-3-12-23/h1-7,10-19H,8-9,20-21H2,(H,32,33,34)
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n/an/an/a 1.90E+5n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93338
PNG
(Neu-49)
Show SMILES C(=C/c1ccc2ccccc2n1)\c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H18N2/c1-2-9-19(10-3-1)25-22(21-11-5-7-13-24(21)27-25)17-16-20-15-14-18-8-4-6-12-23(18)26-20/h1-17,27H/b17-16+
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n/an/an/a>5.00E+5n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM87059
PNG
(CHEMBL247767 | Chymostatin)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCNC(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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8.24E+3 -29.0n/an/an/an/an/a7.625



University of Karachi



Assay Description
Chymotrypsin inhibitory activity of compunds was perfomred by the method of Cannel.


J Enzyme Inhib Med Chem 23: 400-5 (2008)


Article DOI: 10.1080/14756360701584653
BindingDB Entry DOI: 10.7270/Q2JS9P23
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM87058
PNG
(Lignan, 3 | MLS000034632 | N-tert-Butyl-N-(tert-bu...)
Show SMILES CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C22H35N3O2/c1-21(2,3)23-19(26)16-25(22(4,5)6)20(27)13-15-24-14-9-11-17-10-7-8-12-18(17)24/h7-8,10,12H,9,11,13-16H2,1-6H3,(H,23,26)
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3.18E+4 -25.7n/an/an/an/an/a7.625



University of Karachi



Assay Description
Chymotrypsin inhibitory activity of compunds was perfomred by the method of Cannel.


J Enzyme Inhib Med Chem 23: 400-5 (2008)


Article DOI: 10.1080/14756360701584653
BindingDB Entry DOI: 10.7270/Q2JS9P23
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM87060
PNG
(Lignan, 4 | MLS001138823 | N-(4-methylcyclohexyl)-...)
Show SMILES CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C19H29N3O3S/c1-15-6-8-17(9-7-15)20-19(23)16-4-3-5-18(14-16)26(24,25)22-12-10-21(2)11-13-22/h3-5,14-15,17H,6-13H2,1-2H3,(H,20,23)
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4.71E+4 -24.7n/an/an/an/an/a7.625



University of Karachi



Assay Description
Chymotrypsin inhibitory activity of compunds was perfomred by the method of Cannel.


J Enzyme Inhib Med Chem 23: 400-5 (2008)


Article DOI: 10.1080/14756360701584653
BindingDB Entry DOI: 10.7270/Q2JS9P23
More data for this
Ligand-Target Pair
Chymotrypsin C


(Homo sapiens (human))
BDBM50018174
PNG
(CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1
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2.60E+4n/an/an/an/an/an/a7.8n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5


J Med Chem 32: 1253-9 (1989)


Article DOI: 10.1021/jm00126a018
BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM16127
PNG
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
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1.20E+5 -22.2n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM87059
PNG
(CHEMBL247767 | Chymostatin)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCNC(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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9.36n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against bovine pancreas chymotrypsin


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM87059
PNG
(CHEMBL247767 | Chymostatin)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCNC(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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9.36n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
inhibitory activity against alpha chymotrypsin from bovine pancreas.


J Med Chem 44: 1286-96 (2001)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50098882
PNG
(4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-a...)
Show SMILES Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(N)=O
Show InChI InChI=1S/C24H23F2N5O4/c1-14-6-5-9-16(10-14)21-29-12-17(27)22(34)31(21)13-19(32)30-18(11-15-7-3-2-4-8-15)20(33)24(25,26)23(28)35/h2-10,12,18H,11,13,27H2,1H3,(H2,28,35)(H,30,32)
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12.6n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against bovine pancreas chymotrypsin


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50068918
PNG
((S)-4-((2S,3S)-2-Benzyloxycarbonylamino-3-methyl-p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
Show InChI InChI=1S/C34H44N4O9/c1-4-22(2)29(37-34(45)47-21-24-14-9-6-10-15-24)31(42)35-25(17-18-28(39)40)32(43)38-19-11-16-27(38)30(41)36-26(33(44)46-3)20-23-12-7-5-8-13-23/h5-10,12-15,22,25-27,29H,4,11,16-21H2,1-3H3,(H,35,42)(H,36,41)(H,37,45)(H,39,40)/t22-,25-,26-,27-,29-/m0/s1
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34n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Bovine Chymotrypsinogen


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50036127
PNG
(CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)
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55n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against bovine pancreatic chymotrypsinogen


J Med Chem 37: 3303-12 (1994)


Article DOI: 10.1021/jm00046a015
BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50036127
PNG
(CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)
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55n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity against bovine pancreatic chymotrypsinogen


J Med Chem 37: 1259-61 (1994)


Article DOI: 10.1021/jm00035a004
BindingDB Entry DOI: 10.7270/Q2251H7P
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50098877
PNG
(4-{2-[5-Amino-2-(3-methoxy-phenyl)-6-oxo-6H-pyrimi...)
Show SMILES COc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H29F2N5O5/c1-43-23-14-8-13-22(16-23)28-35-18-24(34)29(41)38(28)19-26(39)37-25(15-20-9-4-2-5-10-20)27(40)31(32,33)30(42)36-17-21-11-6-3-7-12-21/h2-14,16,18,25H,15,17,19,34H2,1H3,(H,36,42)(H,37,39)
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109n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against bovine pancreas chymotrypsin


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50098870
PNG
(CHEMBL26182 | {4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-py...)
Show SMILES COC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1
Show InChI InChI=1S/C27H27F2N5O6/c1-16-7-6-10-18(11-16)24-31-13-19(30)25(38)34(24)15-21(35)33-20(12-17-8-4-3-5-9-17)23(37)27(28,29)26(39)32-14-22(36)40-2/h3-11,13,20H,12,14-15,30H2,1-2H3,(H,32,39)(H,33,35)
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147n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against bovine pancreas chymotrypsin


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50061024
PNG
((2-Methyl-1-{(S)-oxo-[(S)-2-((S)-3,3,3-trifluoro-1...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H28F3N3O5/c1-9(2)12(14(25)18(19,20)21)22-15(26)11-7-6-8-24(11)16(27)13(10(3)4)23-17(28)29-5/h9-13H,6-8H2,1-5H3,(H,22,26)(H,23,28)/t11-,12-,13-/m0/s1
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149n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound for human pancreatic Chymotrypsinogen


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50098884
PNG
(4-[2-(5-Amino-6-oxo-2-pyridin-3-yl-6H-pyrimidin-1-...)
Show SMILES Nc1cnc(-c2cccnc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C29H26F2N6O4/c30-29(31,28(41)35-15-20-10-5-2-6-11-20)25(39)23(14-19-8-3-1-4-9-19)36-24(38)18-37-26(21-12-7-13-33-16-21)34-17-22(32)27(37)40/h1-13,16-17,23H,14-15,18,32H2,(H,35,41)(H,36,38)
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171n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against bovine pancreas chymotrypsin


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50098886
PNG
(4-[2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-ac...)
Show SMILES Nc1cnc(-c2ccccc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C30H27F2N5O4/c31-30(32,29(41)35-17-21-12-6-2-7-13-21)26(39)24(16-20-10-4-1-5-11-20)36-25(38)19-37-27(22-14-8-3-9-15-22)34-18-23(33)28(37)40/h1-15,18,24H,16-17,19,33H2,(H,35,41)(H,36,38)
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177n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against bovine pancreas chymotrypsin


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50098885
PNG
(4-[2-(5-Amino-6-oxo-2-pyridin-4-yl-6H-pyrimidin-1-...)
Show SMILES Nc1cnc(-c2ccncc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C29H26F2N6O4/c30-29(31,28(41)35-16-20-9-5-2-6-10-20)25(39)23(15-19-7-3-1-4-8-19)36-24(38)18-37-26(21-11-13-33-14-12-21)34-17-22(32)27(37)40/h1-14,17,23H,15-16,18,32H2,(H,35,41)(H,36,38)
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240n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against bovine pancreas chymotrypsin


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50025549
PNG
(6-Chloro-3-phenyl-pyran-2-one | CHEMBL274455)
Show SMILES Clc1ccc(-c2ccccc2)c(=O)o1
Show InChI InChI=1S/C11H7ClO2/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-7H
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-chymotrypsin from bovine pancreas.


J Med Chem 29: 1159-63 (1987)


Article DOI: 10.1021/jm00157a007
BindingDB Entry DOI: 10.7270/Q27080D6
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50098866
PNG
(4-({4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-y...)
Show SMILES Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H27F2N5O6/c1-18-6-5-9-21(14-18)27-35-16-23(34)28(41)38(27)17-25(39)37-24(15-19-7-3-2-4-8-19)26(40)31(32,33)30(44)36-22-12-10-20(11-13-22)29(42)43/h2-14,16,24H,15,17,34H2,1H3,(H,36,44)(H,37,39)(H,42,43)
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282n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against bovine pancreas chymotrypsin


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50098883
PNG
(4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-a...)
Show SMILES CCN(CC)C(=O)CCNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1
Show InChI InChI=1S/C31H36F2N6O5/c1-4-38(5-2)26(41)14-15-35-30(44)31(32,33)27(42)24(17-21-11-7-6-8-12-21)37-25(40)19-39-28(36-18-23(34)29(39)43)22-13-9-10-20(3)16-22/h6-13,16,18,24H,4-5,14-15,17,19,34H2,1-3H3,(H,35,44)(H,37,40)
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295n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against bovine pancreas chymotrypsin


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
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