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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'ahlström' and Initial = 'mm'   
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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224109
PNG
(1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluor...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)26(2,24)25/h3-11H,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224101
PNG
(4-(3-phenyl-5-p-tolyl-1H-pyrazol-1-yl)benzenesulfo...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O2S/c1-16-7-9-18(10-8-16)22-15-21(17-5-3-2-4-6-17)24-25(22)19-11-13-20(14-12-19)28(23,26)27/h2-15H,1H3,(H2,23,26,27)
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n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50057568
PNG
(4-(3-(trifluoromethyl)-5-(4-(trifluoromethyl)pheny...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6N3O2S/c18-16(19,20)11-3-1-10(2-4-11)14-9-15(17(21,22)23)25-26(14)12-5-7-13(8-6-12)29(24,27)28/h1-9H,(H2,24,27,28)
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n/an/a 1.70E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224112
PNG
(2-(4-(3-(trifluoromethyl)-5-(4-(trifluoromethyl)ph...)
Show SMILES OC(=O)Cc1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N2O2/c20-18(21,22)13-5-3-12(4-6-13)15-10-16(19(23,24)25)26-27(15)14-7-1-11(2-8-14)9-17(28)29/h1-8,10H,9H2,(H,28,29)
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n/an/a 2.50E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224110
PNG
(1-(4-(methylsulfinyl)phenyl)-5-p-tolyl-3-(trifluor...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2OS/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)25(2)24/h3-11H,1-2H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224111
PNG
(1-(4-(methylthio)phenyl)-5-p-tolyl-3-(trifluoromet...)
Show SMILES CSc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(24-2)10-8-14/h3-11H,1-2H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224107
PNG
(CHEMBL241971 | ethyl 4-(3-(trifluoromethyl)-5-(4-(...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H14F6N2O2/c1-2-30-18(29)13-5-9-15(10-6-13)28-16(11-17(27-28)20(24,25)26)12-3-7-14(8-4-12)19(21,22)23/h3-11H,2H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224108
PNG
(2-(4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-y...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(CC(O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O2/c1-12-2-6-14(7-3-12)16-11-17(19(20,21)22)23-24(16)15-8-4-13(5-9-15)10-18(25)26/h2-9,11H,10H2,1H3,(H,25,26)
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224105
PNG
(1,5-bis-(4-methylphenyl)-3-trifluoromethyl-pyrazol...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(C)cc1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2/c1-12-3-7-14(8-4-12)16-11-17(18(19,20)21)22-23(16)15-9-5-13(2)6-10-15/h3-11H,1-2H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224104
PNG
(4-(3-(trifluoromethyl)-5-(4-(trifluoromethyl)pheny...)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H10F6N2O2/c19-17(20,21)12-5-1-10(2-6-12)14-9-15(18(22,23)24)25-26(14)13-7-3-11(4-8-13)16(27)28/h1-9H,(H,27,28)
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224103
PNG
(CHEMBL440055 | ethyl 4-(5-p-tolyl-3-(trifluorometh...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O2/c1-3-27-19(26)15-8-10-16(11-9-15)25-17(12-18(24-25)20(21,22)23)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224102
PNG
(4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)b...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H13F3N2O2/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)22-23(15)14-8-6-13(7-9-14)17(24)25/h2-10H,1H3,(H,24,25)
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224106
PNG
(1-(4-sulfamoyl-phenyl)-5-p-tolyl-1H-pyrazole-3-car...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C17H15N3O4S/c1-11-2-4-12(5-3-11)16-10-15(17(21)22)19-20(16)13-6-8-14(9-7-13)25(18,23)24/h2-10H,1H3,(H,21,22)(H2,18,23,24)
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair