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PubMed code 11960499

Compile data set for download or QSAR
Found 7 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
Albumin


(Homo sapiens (Human))
BDBM50112213
PNG
(1-Azido-2-bromo-2-chloro-1,1-difluoro-ethane | CHE...)
Show SMILES FC(F)(N=[N+]=[N-])C(Cl)Br
Show InChI InChI=1S/C2HBrClF2N3/c3-1(4)2(5,6)8-9-7/h1H
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)


BindingDB Entry DOI: 10.7270/Q2QF8S79
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50112209
PNG
(3-Bromo-3-trifluoromethyl-3H-diazirine | CHEMBL298...)
Show SMILES FC(F)(F)C1(Br)N=N1 |c:6|
Show InChI InChI=1S/C2BrF3N2/c3-1(7-8-1)2(4,5)6
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n/an/a 4.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)


BindingDB Entry DOI: 10.7270/Q2QF8S79
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50112214
PNG
(3-Bromo-3-(2-chloro-1,1,2-trifluoro-ethyl)-3H-diaz...)
Show SMILES FC(Cl)C(F)(F)C1(Br)N=N1 |c:8|
Show InChI InChI=1S/C3HBrClF3N2/c4-3(9-10-3)2(7,8)1(5)6/h1H
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n/an/a 7.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)


BindingDB Entry DOI: 10.7270/Q2QF8S79
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50112210
PNG
(3-(2-Bromo-2-chloro-1,1-difluoro-ethyl)-3H-diaziri...)
Show SMILES FC(F)(C(Cl)Br)C1N=N1 |c:7|
Show InChI InChI=1S/C3H2BrClF2N2/c4-1(5)3(6,7)2-8-9-2/h1-2H
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n/an/a 8.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)


BindingDB Entry DOI: 10.7270/Q2QF8S79
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50112215
PNG
(2-Diazo-1,1,1-trifluoro-ethane | CHEMBL54683)
Show SMILES FC(F)(F)[CH-][N+]#N
Show InChI InChI=1S/C2HF3N2/c3-2(4,5)1-7-6/h1H
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n/an/a 1.20E+6n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)


BindingDB Entry DOI: 10.7270/Q2QF8S79
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50112211
PNG
(3-(2-Chloro-1,1,2-trifluoro-ethyl)-3-fluoro-3H-dia...)
Show SMILES FC(Cl)C(F)(F)C1(F)N=N1 |c:8|
Show InChI InChI=1S/C3HClF4N2/c4-1(5)2(6,7)3(8)9-10-3/h1H
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n/an/a 2.20E+6n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)


BindingDB Entry DOI: 10.7270/Q2QF8S79
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50112212
PNG
(1,1,1-trifluoro-2-bromo-2-chloroethane | 1,1,1-tri...)
Show SMILES FC(F)(F)C(Cl)Br
Show InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
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n/an/a 2.90E+6n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)


BindingDB Entry DOI: 10.7270/Q2QF8S79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%