BDBM50053093 (2E,4E,6E)-8-Cyclohex-2-en-(E)-ylidene-3,7-dimethyl-octa-2,4,6-trienoic acid::CHEMBL121659

SMILES: C\C(\C=C\C=C(/C)\C=C1/CCCC=C1)=C/C(O)=O

InChI Key: InChIKey=KGGAJOWMYFTOQC-FMCGOZDLSA-N

Data: 3 IC50  3 Kd

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 6 hits for monomerid = 50053093   

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 (Mus musculus)	BDBM50053093 ((2E,4E,6E)-8-Cyclohex-2-en-(E)-ylidene-3,7-dimethy...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC=C1)=C/C(O)=O |c:12| Show InChI InChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RXR alpha				J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50053093 ((2E,4E,6E)-8-Cyclohex-2-en-(E)-ylidene-3,7-dimethy...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC=C1)=C/C(O)=O |c:12| Show InChI InChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of binding to human Retinoic acid receptor RXR DEF domain				J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z
					More data for this Ligand-Target Pair
Cellular retinoic acid-binding protein I (Gallus gallus)	BDBM50053093 ((2E,4E,6E)-8-Cyclohex-2-en-(E)-ylidene-3,7-dimethy...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC=C1)=C/C(O)=O |c:12| Show InChI InChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to chick skin Cytoplasmic retinoic acid binding protein				J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z
					More data for this Ligand-Target Pair
Cellular retinoic acid-binding protein II (Mus musculus)	BDBM50053093 ((2E,4E,6E)-8-Cyclohex-2-en-(E)-ylidene-3,7-dimethy...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC=C1)=C/C(O)=O |c:12| Show InChI InChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 2				J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z
					More data for this Ligand-Target Pair
Cellular retinoic acid-binding protein I (Mus musculus)	BDBM50053093 ((2E,4E,6E)-8-Cyclohex-2-en-(E)-ylidene-3,7-dimethy...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC=C1)=C/C(O)=O |c:12| Show InChI InChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 1				J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z
					More data for this Ligand-Target Pair				3D Structure (docked)
Retinoic acid receptor alpha (Mus musculus)	BDBM50053093 ((2E,4E,6E)-8-Cyclohex-2-en-(E)-ylidene-3,7-dimethy...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC=C1)=C/C(O)=O |c:12| Show InChI InChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RAR alpha				J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z
					More data for this Ligand-Target Pair