BDBM50382930 CHEMBL115097

SMILES CCCCCCOc1cc2c(cc1N(C)c1ncc(cn1)C(O)=O)C(C)(C)CCC2(C)C

InChI Key InChIKey=JJUUTJCZMGZJDZ-UHFFFAOYSA-N

Data  1 KI  3 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50382930   

TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50382930(CHEMBL115097)
Show SMILES CCCCCCOc1cc2c(cc1N(C)c1ncc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)
Affinity DataKi:  1.34E+3nMAssay Description:Displacement of [3H]-9-cis retinoic acid from recombinant human RXR-alpha LBD by liquid scintillation counting based competitive ligand binding assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50382930(CHEMBL115097)
Show SMILES CCCCCCOc1cc2c(cc1N(C)c1ncc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)
Affinity DataKd:  1.35E+3nMAssay Description:Binding affinity to human RXR-alpha by ITC analysisMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50382930(CHEMBL115097)
Show SMILES CCCCCCOc1cc2c(cc1N(C)c1ncc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)
Affinity DataKd:  77.6nMAssay Description:Antagonist activity at RXRalpha expressed in COS1 cells assessed as inhibition of NEt-TMN-induced luciferase activity after 18 hrs by reporter gene a...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50382930(CHEMBL115097)
Show SMILES CCCCCCOc1cc2c(cc1N(C)c1ncc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)
Affinity DataKd:  260nMAssay Description:Binding affinity to human RXR-alpha LBD incubated for 2 hrs by tryptophan fluorescence quenching assayMore data for this Ligand-Target Pair