BindingDB PrimarySearch

BDBM50061625 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid::Am 80::CHEMBL25202::Tamibarotene::US9963439, AM80::retinobenzoic acid

SMILES: CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12

InChI Key: InChIKey=MUTNCGKQJGXKEM-UHFFFAOYSA-N

Data: 2 KI 6 IC50 3 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50061625
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 X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Agonistic activity of the compound towards retinoic acid receptor-alpha				J Med Chem 40: 4222-34 (1998) Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC
University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Agonistic activity of the compound towards retinoic acid receptor-beta				J Med Chem 40: 4222-34 (1998) Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC
University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	78	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
DNA topoisomerase 1 (Yersinia pestis)	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
Retinoid receptor (Homo sapiens (Human))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	235	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Agonist activity at RARbeta				J Med Chem 53: 6779-810 (2010) Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	591	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Agonist activity at RARgamma				J Med Chem 53: 6779-810 (2010) Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome CYP26A1 (Homo sapiens (Human))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.31E+4	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))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.07E+4	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
Aminopeptidase N (Sus scrofa (Pig))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.2	n/a
Shandong University					Assay Description Briefly, the assay was performed in 96-well plates in 50 mm PBS, pH 7.2 as the assay buffer, at 37 �C. The APN solution was mixed with compounds at v...				Chem Biol Drug Des 88: 542-55 (2016) Article DOI: 10.1111/cbdd.12778 BindingDB Entry DOI: 10.7270/Q2HX1BHT
Shandong University					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description Briefly, the HDAC8 enzyme was diluted 20 times. Then, 10 μL of HDAC8 solution was mixed with compounds at various concentrations (50 μL). T...				Chem Biol Drug Des 88: 542-55 (2016) Article DOI: 10.1111/cbdd.12778 BindingDB Entry DOI: 10.7270/Q2HX1BHT
Shandong University					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Agonist activity at RARalpha				J Med Chem 53: 6779-810 (2010) Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair