BDBM50036399 Axitirome::CHEMBL159682::N-(4-{3-[(4-Fluoro-phenyl)-hydroxy-methyl]-4-hydroxy-phenoxy}-3,5-dimethyl-phenyl)-oxalamic acid ethyl ester

SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1

InChI Key InChIKey=FUBBWDWIGBTUPQ-UHFFFAOYSA-N

Data  2 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50036399   

TargetThyroid hormone receptor beta(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50036399(Axitirome | CHEMBL159682 | N-(4-{3-[(4-Fluoro-phen...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
Affinity DataKi:  2.20nMAssay Description:Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-countingMore data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50036399(Axitirome | CHEMBL159682 | N-(4-{3-[(4-Fluoro-phen...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
Affinity DataKi:  40nMAssay Description:Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-countingMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(RAT)
CIBA Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50036399(Axitirome | CHEMBL159682 | N-(4-{3-[(4-Fluoro-phen...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
Affinity DataIC50: 0.230nMAssay Description:Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.More data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(RAT)
CIBA Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50036399(Axitirome | CHEMBL159682 | N-(4-{3-[(4-Fluoro-phen...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
Affinity DataIC50: 5.00E+3nMAssay Description:In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothyronine receptorMore data for this Ligand-Target Pair