BDBM50133124 5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphenyl-2-yl]-3-methyl-penta-2,4-dienoic acid::CHEMBL129976

SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O

InChI Key InChIKey=BIYAHXVUPFJGKI-SGCNCOIJSA-N

Data  8 KI  1 IC50

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50133124   

TargetRetinoic acid receptor RXR-alpha(RAT)
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50133124(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
Affinity DataKi:  21nMAssay Description:Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Rattus norvegicus)
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50133124(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
Affinity DataKi:  26nMAssay Description:Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Rattus norvegicus)
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50133124(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
Affinity DataKi:  155nMAssay Description:Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50133124(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity for Retinoic acid receptor beta was determined by competing with 3[H]-ATRAMore data for this Ligand-Target Pair
TargetRetinoic acid receptor, gamma(Rattus norvegicus)
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50133124(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity for Retinoic acid receptor gamma was determined by competing with 3[H]-ATRAMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Rattus norvegicus)
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50133124(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity for Peroxisome proliferator activated receptor gamma was determinedMore data for this Ligand-Target Pair
TargetRetinoic acid receptor, alpha, isoform CRA_b(Rattus norvegicus)
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50133124(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity for Retinoic acid receptor alpha was determined by competing with 3[H]-ATRAMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Rattus norvegicus)
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50133124(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determinedMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(RAT)
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50133124(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
Affinity DataIC50: 46nMAssay Description:Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determinedMore data for this Ligand-Target Pair