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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50157605   
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 26B1


(Homo sapiens (Human))
BDBM50157605
PNG
(Liarozole | Liazal | R-75251 | US9963439, Liarozol...)
Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01780
BindingDB Entry DOI: 10.7270/Q2J38VG8
More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157605
PNG
(Liarozole | Liazal | R-75251 | US9963439, Liarozol...)
Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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US Patent
n/an/a 18n/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50157605
PNG
(Liarozole | Liazal | R-75251 | US9963439, Liarozol...)
Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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US Patent
n/an/a 480n/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50157605
PNG
(Liarozole | Liazal | R-75251 | US9963439, Liarozol...)
Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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US Patent
n/an/a 1.63E+3n/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))
BDBM50157605
PNG
(Liarozole | Liazal | R-75251 | US9963439, Liarozol...)
Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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US Patent
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))
BDBM50157605
PNG
(Liarozole | Liazal | R-75251 | US9963439, Liarozol...)
Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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PC sid
UniChem

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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01780
BindingDB Entry DOI: 10.7270/Q2J38VG8
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50157605
PNG
(Liarozole | Liazal | R-75251 | US9963439, Liarozol...)
Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
PDB
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KEGG

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PC cid
PC sid
UniChem

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US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair