null

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

InChI Key: InChIKey=WWPNKNDRIFQGQU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50040023   

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 RXR-alpha (Homo sapiens (Human))	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	706	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 beta (Homo sapiens (Human))	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(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	395	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-beta (Mus musculus)	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(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	902	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 RXR-gamma (Mus musculus)	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(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	911	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 gamma (Homo sapiens (Human))	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(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	1.02E+3	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-beta (Mus musculus)	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(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	1.98E+3	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 gamma (Homo sapiens (Human))	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(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 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 RXR-alpha (Homo sapiens (Human))	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(H,25,26)	PDB MMDB NCI pathway 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	1.82E+3	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 alpha (Homo sapiens (Human))	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(H,25,26)	PDB MMDB NCI pathway 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	2.86E+3	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 RXR-gamma (Mus musculus)	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(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	2.25E+3	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
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(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 alpha (Homo sapiens (Human))	BDBM50040023 (4-(3-Fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12 Show InChI InChI=1S/C22H23FO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(H,25,26)	PDB MMDB NCI pathway 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 alpha				J Med Chem 37: 2930-41 (1994) BindingDB Entry DOI: 10.7270/Q27080G3
					More data for this Ligand-Target Pair