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PubMed code 11549442

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50104175
PNG
((S)-2-Oxo-4-phenyl-3-(4-phenylazo-benzoylamino)-bu...)
Show SMILES COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)N=Nc1ccccc1
Show InChI InChI=1S/C24H21N3O4/c1-31-24(30)22(28)21(16-17-8-4-2-5-9-17)25-23(29)18-12-14-20(15-13-18)27-26-19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,25,29)/t21-/m0/s1
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Article
PubMed
110n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Difference between inhibition of alpha-chymotrypsin by the UV light and inhibition of alpha-chymotrypsin by the ambient light


Bioorg Med Chem Lett 11: 2441-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00464-4
BindingDB Entry DOI: 10.7270/Q2GB23BW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50104175
PNG
((S)-2-Oxo-4-phenyl-3-(4-phenylazo-benzoylamino)-bu...)
Show SMILES COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)N=Nc1ccccc1
Show InChI InChI=1S/C24H21N3O4/c1-31-24(30)22(28)21(16-17-8-4-2-5-9-17)25-23(29)18-12-14-20(15-13-18)27-26-19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,25,29)/t21-/m0/s1
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PubMed
130n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition constant for inhibition of alpha-chymotrypsin by the UV light


Bioorg Med Chem Lett 11: 2441-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00464-4
BindingDB Entry DOI: 10.7270/Q2GB23BW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50104175
PNG
((S)-2-Oxo-4-phenyl-3-(4-phenylazo-benzoylamino)-bu...)
Show SMILES COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)N=Nc1ccccc1
Show InChI InChI=1S/C24H21N3O4/c1-31-24(30)22(28)21(16-17-8-4-2-5-9-17)25-23(29)18-12-14-20(15-13-18)27-26-19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,25,29)/t21-/m0/s1
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PubMed
240n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition constant for inhibition of alpha-chymotrypsin by the UV light


Bioorg Med Chem Lett 11: 2441-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00464-4
BindingDB Entry DOI: 10.7270/Q2GB23BW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50104174
PNG
((S)-2-Oxo-4-phenyl-3-(4-phenylazo-benzyloxycarbony...)
Show SMILES COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc(cc1)N=Nc1ccccc1
Show InChI InChI=1S/C25H23N3O5/c1-32-24(30)23(29)22(16-18-8-4-2-5-9-18)26-25(31)33-17-19-12-14-21(15-13-19)28-27-20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,31)/t22-/m0/s1
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290n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition constant for inhibition of alpha-chymotrypsin by the ambient light


Bioorg Med Chem Lett 11: 2441-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00464-4
BindingDB Entry DOI: 10.7270/Q2GB23BW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50104174
PNG
((S)-2-Oxo-4-phenyl-3-(4-phenylazo-benzyloxycarbony...)
Show SMILES COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc(cc1)N=Nc1ccccc1
Show InChI InChI=1S/C25H23N3O5/c1-32-24(30)23(29)22(16-18-8-4-2-5-9-18)26-25(31)33-17-19-12-14-21(15-13-19)28-27-20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,31)/t22-/m0/s1
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PubMed
480n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Difference between inhibition of alpha-chymotrypsin by the UV light and inhibition of alpha-chymotrypsin by the ambient light


Bioorg Med Chem Lett 11: 2441-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00464-4
BindingDB Entry DOI: 10.7270/Q2GB23BW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50104174
PNG
((S)-2-Oxo-4-phenyl-3-(4-phenylazo-benzyloxycarbony...)
Show SMILES COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc(cc1)N=Nc1ccccc1
Show InChI InChI=1S/C25H23N3O5/c1-32-24(30)23(29)22(16-18-8-4-2-5-9-18)26-25(31)33-17-19-12-14-21(15-13-19)28-27-20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,31)/t22-/m0/s1
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Article
PubMed
770n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition constant for inhibition of alpha-chymotrypsin by the ambient light


Bioorg Med Chem Lett 11: 2441-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00464-4
BindingDB Entry DOI: 10.7270/Q2GB23BW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%