BDBM50040014 4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-benzoic acid::CHEMBL330593

SMILES: CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12

InChI Key: InChIKey=JZDOYAVNMGSJNE-UHFFFAOYSA-N

Data: 6 Kd  6 EC50

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 12 hits for monomerid = 50040014   

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
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	397	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Effective concentration against retinoid receptor isoform (RAR gamma) expressed in CV-1 cells				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR alpha				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Mus musculus)	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	189	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Effective concentration against retinoid receptor isoform (RAR alpha) expressed in CV-1 cells				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to baculovirus expressed retinoid receptor RAR beta				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Mus musculus)	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to baculovirus expressed retinoid receptor RAR alpha				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Tested for binding affinity against [3H]-ATRA binding to retinoid receptor isoform (RAR gamma) expressed in baculovirus				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	337	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Effective concentration against retinoid receptor isoform (RAR beta) expressed in CV-1 cells				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Mus musculus)	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR gamma				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	197	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Effective concentration against retinoid receptor isoform (RXR alpha) expressed in CV-1 cells				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Mus musculus)	BDBM50040014 (4-[1-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C23H25FO2/c1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3/h6-9,12-13H,1,10-11H2,2-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	383	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Effective concentration against retinoid receptor isoform (RXR gamma) expressed in CV-1 cells				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair