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There are 40 purchasable compounds for target: Alpha-chymotrypsin

Wt: 456.5
BDBM1944
Purchase
Wt: 306.2
BDBM25817
Purchase
Wt: 121.9
BDBM26996
Purchase
Wt: 189.9
BDBM26124
Purchase
Wt: 178.0
BDBM26139
Purchase
Wt: 161.9
BDBM26140
Purchase
Wt: 149.9
BDBM26142
Purchase
Wt: 531.4
BDBM31768
Purchase
Wt: 397.7
BDBM31770
Purchase
Wt: 416.1
BDBM31772
Purchase
Wt: 381.6
BDBM31773
Purchase
Wt: 344.8
BDBM31774
Purchase
Wt: 160.1
BDBM93014
Purchase
Wt: 161.1
BDBM93015
Purchase
Wt: 160.1
BDBM93016
Purchase
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 1944,25817,26996,26124,26139,26140,26142,31768,31770,31772,31773,31774,93014,93015,93016   
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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined against Chymotrypsinogen


Bioorg Med Chem Lett 2: 1391-1394 (1992)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined against Chymotrypsinogen


Bioorg Med Chem Lett 2: 1391-1394 (1992)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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6.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of chymotrypsin


Bioorg Med Chem Lett 4: 2417-2420 (1994)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93014
PNG
(Indole-2-carboxamide)
Show SMILES NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H2,10,12)
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6.40E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


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


(Bos taurus (bovine))
BDBM93014
PNG
(Indole-2-carboxamide)
Show SMILES NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H2,10,12)
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7.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


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


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.24E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


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


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.30E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


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


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.30E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


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


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.37E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


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


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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4.00E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


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


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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4.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


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


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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4.90E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


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


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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7.60E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


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


(Bos taurus (bovine))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Chymotrypsinogen


J Med Chem 46: 4477-86 (2003)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM25817
PNG
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)
Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
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n/an/a>4.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Chymotrypsinogen


J Med Chem 46: 4477-86 (2003)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
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n/an/a 1.25E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Chymotrypsinogen


J Med Chem 46: 4477-86 (2003)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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PubMed
n/an/a 8.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Chymotrypsinogen


J Med Chem 46: 4477-86 (2003)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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n/an/a 2.25E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Chymotrypsinogen


J Med Chem 46: 4477-86 (2003)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM31770
PNG
(Exelderm | SULCONAZOLE | Sulconazole Nitrate | cid...)
Show SMILES Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 1.10E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Chymotrypsinogen


J Med Chem 46: 4477-86 (2003)

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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PubMed
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


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Chymotrypsinogen


J Med Chem 46: 4477-86 (2003)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM26124
PNG
(CHEMBL336239 | Phenylboronic Acid, 3 | [3-(trifluo...)
Show SMILES OB(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
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n/an/a>2.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


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


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM26140
PNG
(1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...)
Show SMILES OB(O)c1cc2ccccc2o1
Show InChI InChI=1S/C8H7BO3/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 1.40E+4n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


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


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair