BDBM50053094 (2E,4E,6E)-8-[2,3-Dimethyl-cyclohex-2-en-(E)-ylidene]-3,7-dimethyl-octa-2,4,6-trienoic acid::CHEMBL122823

SMILES: C\C(\C=C\C=C(/C)\C=C1/CCCC(C)=C1C)=C/C(O)=O

InChI Key: InChIKey=RPQYCEYLWVFLBS-FUJBVNLPSA-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 = 50053094   

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)	BDBM50053094 ((2E,4E,6E)-8-[2,3-Dimethyl-cyclohex-2-en-(E)-ylide...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC(C)=C1C)=C/C(O)=O |c:13| Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7+,14-12+,17-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 alpha (Mus musculus)	BDBM50053094 ((2E,4E,6E)-8-[2,3-Dimethyl-cyclohex-2-en-(E)-ylide...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC(C)=C1C)=C/C(O)=O |c:13| Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7+,14-12+,17-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	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
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50053094 ((2E,4E,6E)-8-[2,3-Dimethyl-cyclohex-2-en-(E)-ylide...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC(C)=C1C)=C/C(O)=O |c:13| Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7+,14-12+,17-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 (Mus musculus)	BDBM50053094 ((2E,4E,6E)-8-[2,3-Dimethyl-cyclohex-2-en-(E)-ylide...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC(C)=C1C)=C/C(O)=O |c:13| Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7+,14-12+,17-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.20	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)
Cellular retinoic acid-binding protein II (Mus musculus)	BDBM50053094 ((2E,4E,6E)-8-[2,3-Dimethyl-cyclohex-2-en-(E)-ylide...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC(C)=C1C)=C/C(O)=O |c:13| Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7+,14-12+,17-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 (Gallus gallus)	BDBM50053094 ((2E,4E,6E)-8-[2,3-Dimethyl-cyclohex-2-en-(E)-ylide...) Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC(C)=C1C)=C/C(O)=O |c:13| Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7+,14-12+,17-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+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 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