BindingDB PrimarySearch

BDBM50052414 4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene-7-carboxamido)benzoic acid::4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic acid::4-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid::4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid::CHEMBL69367::US9963439, AM580

SMILES: CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=SZWKGOZKRMMLAJ-UHFFFAOYSA-N

Data: 4 IC50 6 Kd 13 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50052414
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Retinoid receptor (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Effective concentration for retinoic acid receptor RAR gamma transcriptional activation				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Transcriptional activity against RARbeta1				J Med Chem 48: 7517-9 (2005) Article DOI: 10.1021/jm050891r BindingDB Entry DOI: 10.7270/Q26M39JQ
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Binding affinity fo retinoic acid receptor RAR alpha				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid receptor (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.82E+3	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gamma				J Med Chem 39: 3035-8 (1996) Article DOI: 10.1021/jm9603532 BindingDB Entry DOI: 10.7270/Q2W37VD3
Allergan Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta				J Med Chem 39: 3035-8 (1996) Article DOI: 10.1021/jm9603532 BindingDB Entry DOI: 10.7270/Q2W37VD3
Allergan Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha				J Med Chem 39: 3035-8 (1996) Article DOI: 10.1021/jm9603532 BindingDB Entry DOI: 10.7270/Q2W37VD3
Allergan Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor alpha/Retinoid X receptor alpha (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Effective concentration for retinoic acid receptor RAR gamma transcriptional activation				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor RAR gamma				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Binding affinity fo retinoic acid receptor RAR alpha				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)				J Med Chem 43: 409-19 (2000) BindingDB Entry DOI: 10.7270/Q28S4P4M
Eisai Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid receptor (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid receptor (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid receptor (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	19.9	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay				J Med Chem 52: 1540-5 (2009) Article DOI: 10.1021/jm801532e BindingDB Entry DOI: 10.7270/Q2K938R9
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	79.4	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay				J Med Chem 52: 1540-5 (2009) Article DOI: 10.1021/jm801532e BindingDB Entry DOI: 10.7270/Q2K938R9
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid receptor (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Activity at RARgamma expressed in mouse NIH3T3 cells by R-SAT assay				J Med Chem 52: 1540-5 (2009) Article DOI: 10.1021/jm801532e BindingDB Entry DOI: 10.7270/Q2K938R9
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	50.1	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay				J Med Chem 52: 1540-5 (2009) Article DOI: 10.1021/jm801532e BindingDB Entry DOI: 10.7270/Q2K938R9
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at RARalpha by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome CYP26A1 (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2FN18J2
University of Washington at Seattle					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2FN18J2
University of Washington at Seattle					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Yersinia pestis)	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis				Medchemcomm 4: (2013) Article DOI: 10.1039/c3md00238a BindingDB Entry DOI: 10.7270/Q23F4SM4
University of Hawai'i at Hilo Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Transcriptional activity against RARbeta2				J Med Chem 48: 7517-9 (2005) Article DOI: 10.1021/jm050891r BindingDB Entry DOI: 10.7270/Q26M39JQ
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid receptor (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor RAR beta				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)