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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50133124   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Retinoid X receptor alpha (RAT)	BDBM50133124 (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+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA				J Med Chem 46: 4087-103 (2003) Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR
					More data for this Ligand-Target Pair
Retinoid X receptor beta (Rattus norvegicus)	BDBM50133124 (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+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA				J Med Chem 46: 4087-103 (2003) Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR
					More data for this Ligand-Target Pair
Retinoid X receptor gamma (Rattus norvegicus)	BDBM50133124 (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+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA				J Med Chem 46: 4087-103 (2003) Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR
					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50133124 (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+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for Retinoic acid receptor beta was determined by competing with 3[H]-ATRA				J Med Chem 46: 4087-103 (2003) Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Rattus norvegicus)	BDBM50133124 (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+	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for Retinoic acid receptor gamma was determined by competing with 3[H]-ATRA				J Med Chem 46: 4087-103 (2003) Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Rattus norvegicus)	BDBM50133124 (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+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 4087-103 (2003) Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Rattus norvegicus)	BDBM50133124 (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+	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for Retinoic acid receptor alpha was determined by competing with 3[H]-ATRA				J Med Chem 46: 4087-103 (2003) Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Rattus norvegicus)	BDBM50133124 (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+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined				J Med Chem 46: 4087-103 (2003) Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR
					More data for this Ligand-Target Pair
NR2B Channel Blocker (RAT)	BDBM50133124 (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+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined				J Med Chem 46: 4087-103 (2003) Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR
					More data for this Ligand-Target Pair