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Compile Data Set for Download or QSAR

Found 107 hits of ic50 for UniProtKB: Q99895   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50101132
PNG
(1,3-Dibenzyl-[1,3]diazetidine-2,4-dione | CHEMBL47...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
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n/an/a 0.690n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against bovine pancreatic alpha-chymotrypsin

Bioorg Med Chem Lett 11: 1691-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V12421
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50101131
PNG
(1,3-Di-p-tolyl-[1,3]diazetidine-2,4-dione | CHEMBL...)
Show SMILES Cc1ccc(cc1)N1C(=O)N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against bovine pancreatic alpha-chymotrypsin

Bioorg Med Chem Lett 11: 1691-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V12421
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50072290
PNG
((3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...)
Show SMILES C=CC[C@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen

Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23700
PNG
(N-Benzoylpyrazole deriv., 2 | methyl 1-[(4-chlorop...)
Show SMILES COC(=O)c1ccnn1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H9ClN2O3/c1-18-12(17)10-6-7-14-15(10)11(16)8-2-4-9(13)5-3-8/h2-7H,1H3
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n/an/a 15n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23705
PNG
(4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole |...)
Show SMILES Cc1ccc(cc1)C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C11H9BrN2O/c1-8-2-4-9(5-3-8)11(15)14-7-10(12)6-13-14/h2-7H,1H3
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n/an/a 15n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50072282
PNG
((3R,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...)
Show SMILES C=CC[C@@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8-,9+/m1/s1
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n/an/a 37n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen

Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23698
PNG
(4-chloro-1-[(4-fluorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Fc1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
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n/an/a 40n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120284
PNG
(CHEMBL107656 | Peptide Boronic Acid analogue)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(F)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C43H64BFN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23709
PNG
(3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-p...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1
Show InChI InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3
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n/an/a 50n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23704
PNG
(1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide | N-B...)
Show SMILES O=C(Nc1ccccc1)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H13N3O2/c21-16(18-14-9-5-2-6-10-14)15-11-12-20(19-15)17(22)13-7-3-1-4-8-13/h1-12H,(H,18,21)
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n/an/a 57n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120311
PNG
(CHEMBL320814 | Peptide Boronic Acid analogue)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(Cl)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C43H64BClN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50072284
PNG
((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Show SMILES [H][C@@]12[#6]-[#6][C@]3([#6])[C@@]4([H])[#6]-[#6][C@@]5([#6])[C@]6([H])[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8][C@@]6([H])[#6][C@]5([#6])[#6]4=[#6]-[#6][C@@]3([H])[C@]1([#6])[#6](=O)-[#8]2 |r,c:33|
Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen

Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120309
PNG
(CHEMBL108189 | Peptide Boronic Acid analogue)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C42H63BN6O11/c1-22(2)34(47-37(55)27(15-16-32(50)51)45-36(54)26(44)21-33(52)53)39(57)48-35(23(3)4)40(58)49-17-11-14-28(49)38(56)46-31(18-24-12-9-8-10-13-24)43-59-30-20-25-19-29(41(25,5)6)42(30,7)60-43/h8-10,12-13,22-23,25-31,34-35H,11,14-21,44H2,1-7H3,(H,45,54)(H,46,56)(H,47,55)(H,48,57)(H,50,51)(H,52,53)/t25-,26-,27-,28+,29-,30+,31-,34-,35-,42-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120298
PNG
(CHEMBL109434 | Peptide Boronic Acid analogue)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C43H65BN6O11/c1-23(2)35(48-38(56)28(16-18-33(51)52)46-37(55)27(45)22-34(53)54)40(58)49-36(24(3)4)41(59)50-19-11-14-29(50)39(57)47-32(17-15-25-12-9-8-10-13-25)44-60-31-21-26-20-30(42(26,5)6)43(31,7)61-44/h8-10,12-13,23-24,26-32,35-36H,11,14-22,45H2,1-7H3,(H,46,55)(H,47,57)(H,48,56)(H,49,58)(H,51,52)(H,53,54)/t26-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50072285
PNG
((3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1
Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12+/m0/s1
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n/an/a>100n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen

Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50072292
PNG
((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1
Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1
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n/an/a>100n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen

Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50072289
PNG
((3S,3aR,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahy...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@H]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#8]-[#6]-1=O
Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m1/s1
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n/an/a>100n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen

Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50072286
PNG
((3R,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Cc1ccccc1
Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m1/s1
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n/an/a>100n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen

Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50072283
PNG
((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12+,13+/m1/s1
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n/an/a>100n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen

Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23702
PNG
(3-[(2,4-dimethylphenyl)carbonyl]-1-[(4-fluoropheny...)
Show SMILES Cc1ccc(C(=O)c2ccn(n2)C(=O)c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C19H15FN2O2/c1-12-3-8-16(13(2)11-12)18(23)17-9-10-22(21-17)19(24)14-4-6-15(20)7-5-14/h3-11H,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23706
PNG
(1-[(3,4-dichlorophenyl)carbonyl]-1H-pyrazole | N-B...)
Show SMILES Clc1ccc(cc1Cl)C(=O)n1cccn1
Show InChI InChI=1S/C10H6Cl2N2O/c11-8-3-2-7(6-9(8)12)10(15)14-5-1-4-13-14/h1-6H
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n/an/a 125n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50093722
PNG
((6R,7R)-3-(4-Carboxymethyl-4H-[1,2,4]triazol-3-yls...)
Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nncn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1 |c:30|
Show InChI InChI=1S/C29H29N5O9S/c1-17-7-6-8-18(11-17)13-42-25(38)23-19(15-44-28-32-30-16-33(28)12-22(35)36)14-43-27-29(41-3,26(39)34(23)27)31-24(37)20-9-4-5-10-21(20)40-2/h4-11,16,27H,12-15H2,1-3H3,(H,31,37)(H,35,36)/t27-,29+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibitory activity against alpha-chymotrypsin

Bioorg Med Chem Lett 10: 2397-401 (2001)


BindingDB Entry DOI: 10.7270/Q27H1HVR
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23710
PNG
(1-[(4-methylphenyl)carbonyl]-3-nitro-1H-pyrazole |...)
Show SMILES Cc1ccc(cc1)C(=O)n1ccc(n1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3/c1-8-2-4-9(5-3-8)11(15)13-7-6-10(12-13)14(16)17/h2-7H,1H3
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n/an/a 190n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23712
PNG
(1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole |...)
Show SMILES Cc1ccccc1C(=O)n1cc(cn1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3/c1-8-4-2-3-5-10(8)11(15)13-7-9(6-12-13)14(16)17/h2-7H,1H3
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n/an/a 240n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120286
PNG
(CHEMBL322933 | Peptide Boronic Acid analogue)
Show SMILES CC(C)CCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C41H69BN6O11/c1-21(2)12-10-14-30(42-58-29-19-24-18-28(40(24,7)8)41(29,9)59-42)45-37(55)27-13-11-17-48(27)39(57)34(23(5)6)47-38(56)33(22(3)4)46-36(54)26(15-16-31(49)50)44-35(53)25(43)20-32(51)52/h21-30,33-34H,10-20,43H2,1-9H3,(H,44,53)(H,45,55)(H,46,54)(H,47,56)(H,49,50)(H,51,52)/t24-,25-,26-,27+,28-,29+,30-,33-,34-,41-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120292
PNG
(CHEMBL322110 | Peptide Boronic Acid analogue)
Show SMILES CC(C)CC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C40H67BN6O11/c1-20(2)12-14-29(41-57-28-18-23-17-27(39(23,7)8)40(28,9)58-41)44-36(54)26-11-10-16-47(26)38(56)33(22(5)6)46-37(55)32(21(3)4)45-35(53)25(13-15-30(48)49)43-34(52)24(42)19-31(50)51/h20-29,32-33H,10-19,42H2,1-9H3,(H,43,52)(H,44,54)(H,45,53)(H,46,55)(H,48,49)(H,50,51)/t23-,24-,25-,26+,27-,28+,29-,32-,33-,40-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50096724
PNG
((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...)
Show SMILES CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C42H63N7O14/c1-8-9-14-25(34(57)36(43)58)45-38(60)27(19-22(2)3)48-41(63)35(42(5,6)7)49-40(62)28(20-24-13-11-10-12-23(24)4)47-37(59)26(15-17-31(51)52)46-39(61)29(21-33(55)56)44-30(50)16-18-32(53)54/h10-13,22,25-29,35H,8-9,14-21H2,1-7H3,(H2,43,58)(H,44,50)(H,45,60)(H,46,61)(H,47,59)(H,48,63)(H,49,62)(H,51,52)(H,53,54)(H,55,56)/t25-,26+,27+,28+,29+,35-/m1/s1
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Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Serine protease chymotrypsin

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23701
PNG
(4-chloro-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole |...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClN3O3/c11-8-5-12-13(6-8)10(15)7-2-1-3-9(4-7)14(16)17/h1-6H
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n/an/a 340n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120288
PNG
(CHEMBL432978 | Peptide Boronic Acid analogue)
Show SMILES CCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C40H67BN6O11/c1-9-10-11-14-29(41-57-28-19-23-18-27(39(23,6)7)40(28,8)58-41)44-36(54)26-13-12-17-47(26)38(56)33(22(4)5)46-37(55)32(21(2)3)45-35(53)25(15-16-30(48)49)43-34(52)24(42)20-31(50)51/h21-29,32-33H,9-20,42H2,1-8H3,(H,43,52)(H,44,54)(H,45,53)(H,46,55)(H,48,49)(H,50,51)/t23-,24-,25-,26+,27-,28+,29-,32-,33-,40-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120305
PNG
(CHEMBL111765 | Peptide Boronic Acid analogue)
Show SMILES CCCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C41H69BN6O11/c1-9-10-11-12-15-30(42-58-29-20-24-19-28(40(24,6)7)41(29,8)59-42)45-37(55)27-14-13-18-48(27)39(57)34(23(4)5)47-38(56)33(22(2)3)46-36(54)26(16-17-31(49)50)44-35(53)25(43)21-32(51)52/h22-30,33-34H,9-21,43H2,1-8H3,(H,44,53)(H,45,55)(H,46,54)(H,47,56)(H,49,50)(H,51,52)/t24-,25-,26-,27+,28-,29+,30-,33-,34-,41-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50101133
PNG
(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
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n/an/a 740n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against bovine pancreatic alpha-chymotrypsin

Bioorg Med Chem Lett 11: 1691-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V12421
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50291321
PNG
(CHEMBL163002 | {1-[1-(1-Benzyl-2-oxo-ethylcarbamoy...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C23H27N3O5/c1-16(22(29)26-20(14-27)13-18-9-5-3-6-10-18)24-21(28)17(2)25-23(30)31-15-19-11-7-4-8-12-19/h3-12,14,16-17,20H,13,15H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)/t16-,17-,20-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of alpha-Chymotrypsin, activity expressed as IC50

Bioorg Med Chem Lett 7: 705-710 (1997)


Article DOI: 10.1016/S0960-894X(97)00091-7
BindingDB Entry DOI: 10.7270/Q2ZW1KXS
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50167307
PNG
(1-Benzo[b]thiophen-2-ylmethyl-5-iodo-1H-indole-2,3...)
Show SMILES Ic1ccc2N(Cc3cc4ccccc4s3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C17H10INO2S/c18-11-5-6-14-13(8-11)16(20)17(21)19(14)9-12-7-10-3-1-2-4-15(10)22-12/h1-8H,9H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Chymotrypsin (serine protease)

Bioorg Med Chem Lett 15: 3058-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.027
BindingDB Entry DOI: 10.7270/Q2H131JB
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50135494
PNG
(4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonyla...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C18H16FNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Toa Eiyo Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against bovin chymotrypsin

Bioorg Med Chem Lett 13: 4085-8 (2003)


BindingDB Entry DOI: 10.7270/Q2QN665P
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50135495
PNG
(4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyla...)
Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C18H16ClNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3
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Toa Eiyo Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against bovin chymotrypsin

Bioorg Med Chem Lett 13: 4085-8 (2003)


BindingDB Entry DOI: 10.7270/Q2QN665P
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50135493
PNG
(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES CC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C18H16FNO5S3/c1-10-14-9-13(19)5-7-16(14)26-18(10)28(24,25)20-15-6-4-12(11(2)21)8-17(15)27(3,22)23/h4-9,20H,1-3H3
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Toa Eiyo Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against bovin chymotrypsin

Bioorg Med Chem Lett 13: 4085-8 (2003)


BindingDB Entry DOI: 10.7270/Q2QN665P
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23707
PNG
(1-[(2-fluorophenyl)carbonyl]-5-methyl-3-nitro-1H-p...)
Show SMILES Cc1cc(nn1C(=O)c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C11H8FN3O3/c1-7-6-10(15(17)18)13-14(7)11(16)8-4-2-3-5-9(8)12/h2-6H,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23717
PNG
(4-chloro-1-[(2-chlorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Clc1cnn(c1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C10H6Cl2N2O/c11-7-5-13-14(6-7)10(15)8-3-1-2-4-9(8)12/h1-6H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23720
PNG
(1-[(4-tert-butylphenyl)carbonyl]-4-chloro-1H-pyraz...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C14H15ClN2O/c1-14(2,3)11-6-4-10(5-7-11)13(18)17-9-12(15)8-16-17/h4-9H,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23708
PNG
(4-bromo-1-[(2,6-difluorophenyl)carbonyl]-1H-pyrazo...)
Show SMILES Fc1cccc(F)c1C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C10H5BrF2N2O/c11-6-4-14-15(5-6)10(16)9-7(12)2-1-3-8(9)13/h1-5H
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n/an/a 1.80E+3n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120289
PNG
(CHEMBL419567 | Peptide Boronic Acid analogue)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C45H69BN6O11/c1-25(2)37(50-40(58)30(19-20-35(53)54)48-39(57)29(47)24-36(55)56)42(60)51-38(26(3)4)43(61)52-21-13-17-31(52)41(59)49-34(18-12-11-16-27-14-9-8-10-15-27)46-62-33-23-28-22-32(44(28,5)6)45(33,7)63-46/h8-10,14-15,25-26,28-34,37-38H,11-13,16-24,47H2,1-7H3,(H,48,57)(H,49,59)(H,50,58)(H,51,60)(H,53,54)(H,55,56)/t28-,29-,30-,31+,32-,33+,34-,37-,38-,45-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50111590
PNG
(2-(4-Chloro-phenyl)-6-[4-(4-chloro-phenylsulfanyl)...)
Show SMILES OC(=O)c1cc(nc(c1)-c1ccc(Sc2ccc(Cl)cc2)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H15Cl2NO2S/c25-18-5-1-15(2-6-18)22-13-17(24(28)29)14-23(27-22)16-3-9-20(10-4-16)30-21-11-7-19(26)8-12-21/h1-14H,(H,28,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against chymotrypsinogen

J Med Chem 45: 1712-22 (2002)


BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120307
PNG
(CHEMBL263941 | Peptide Boronic Acid analogue)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C39H65BN6O11/c1-9-10-13-28(40-56-27-18-22-17-26(38(22,6)7)39(27,8)57-40)43-35(53)25-12-11-16-46(25)37(55)32(21(4)5)45-36(54)31(20(2)3)44-34(52)24(14-15-29(47)48)42-33(51)23(41)19-30(49)50/h20-28,31-32H,9-19,41H2,1-8H3,(H,42,51)(H,43,53)(H,44,52)(H,45,54)(H,47,48)(H,49,50)/t22-,23-,24-,25+,26-,27+,28-,31-,32-,39-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23715
PNG
(4-bromo-1-[(2-methylphenyl)carbonyl]-1H-pyrazole |...)
Show SMILES Cc1ccccc1C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C11H9BrN2O/c1-8-4-2-3-5-10(8)11(15)14-7-9(12)6-13-14/h2-7H,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50111607
PNG
(3,4-Dichloro-N-[5-(5-chloro-benzothiazol-2-ylsulfa...)
Show SMILES Clc1ccc2sc(Sc3nnc(NC(=O)c4ccc(Cl)c(Cl)c4)s3)nc2c1
Show InChI InChI=1S/C16H7Cl3N4OS3/c17-8-2-4-12-11(6-8)20-15(25-12)27-16-23-22-14(26-16)21-13(24)7-1-3-9(18)10(19)5-7/h1-6H,(H,21,22,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against chymotrypsinogen

J Med Chem 45: 1712-22 (2002)


BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23714
PNG
(4-bromo-1-[(3-methylphenyl)carbonyl]-1H-pyrazole |...)
Show SMILES Cc1cccc(c1)C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C11H9BrN2O/c1-8-3-2-4-9(5-8)11(15)14-7-10(12)6-13-14/h2-7H,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23703
PNG
(1-benzoyl-4-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1cnn(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-9(6-11-12)13(15)16/h1-7H
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n/an/a 2.70E+3n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50111595
PNG
(2,6-Bis-(4-chloro-phenyl)-isonicotinic acid 4-(1-c...)
Show SMILES CC(C)CC(Oc1ccc(OC(=O)c2cc(nc(c2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C30H25Cl2NO5/c1-18(2)15-28(29(34)35)37-24-11-13-25(14-12-24)38-30(36)21-16-26(19-3-7-22(31)8-4-19)33-27(17-21)20-5-9-23(32)10-6-20/h3-14,16-18,28H,15H2,1-2H3,(H,34,35)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against chymotrypsinogen

J Med Chem 45: 1712-22 (2002)


BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM23721
PNG
(4-chloro-1-[(2-fluorophenyl)carbonyl]-3,5-dimethyl...)
Show SMILES Cc1nn(C(=O)c2ccccc2F)c(C)c1Cl
Show InChI InChI=1S/C12H10ClFN2O/c1-7-11(13)8(2)16(15-7)12(17)9-5-3-4-6-10(9)14/h3-6H,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...

J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50120300
PNG
(CHEMBL431246 | Peptide Boronic Acid analogue)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(C)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H67BN6O11/c1-23(2)36(49-39(57)29(16-18-34(52)53)47-38(56)28(46)22-35(54)55)41(59)50-37(24(3)4)42(60)51-19-9-10-30(51)40(58)48-33(17-15-26-13-11-25(5)12-14-26)45-61-32-21-27-20-31(43(27,6)7)44(32,8)62-45/h11-14,23-24,27-33,36-37H,9-10,15-22,46H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t27-,28-,29-,30+,31-,32+,33-,36-,37-,44-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human pancreatic Serine protease chymotrypsin

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
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