Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 2 group E member 1' and Ligand = 'BDBM50584389'
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584389(CHEMBL5080383)
Show SMILES CCCCOc1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)
Affinity DataEC50:  251nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584389(CHEMBL5080383)
Show SMILES CCCCOc1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)
Affinity DataEC50:  250nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584389(CHEMBL5080383)
Show SMILES CCCCOc1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)
Affinity DataEC50:  5.00E+3nMAssay Description:Agonist activity at TLX (unknown origin) assessed as induction of receptor oligomerization using sGFP-labeled TLX LBD as acceptor and biotin TLX LBD ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584389(CHEMBL5080383)
Show SMILES CCCCOc1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)
Affinity DataKd:  1.60E+3nMAssay Description:Binding affinity to recombinant TLX LBD (unknown origin) by differential scanning fluorometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584389(CHEMBL5080383)
Show SMILES CCCCOc1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)
Affinity DataEC50:  700nMAssay Description:Agonist activity at human full length Gal4-fused TLX transfected in human HEK293T cells coexpressing pFR-TAE-Luc assessed as repressor activity of re...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid