BindingDB PrimarySearch

BDBM50048280 6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid::6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid::ADAPALENE::CHEMBL1265

SMILES: COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O

InChI Key: InChIKey=LZCDAPDGXCYOEH-UHFFFAOYSA-N

Data: 6 KI 9 IC50 4 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50048280
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))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIRD GALDERMA Curated by ChEMBL					Assay Description Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand				J Med Chem 38: 4993-5006 (1996) BindingDB Entry DOI: 10.7270/Q20G3J8S
CIRD GALDERMA Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Retinoic acid receptor beta				Bioorg Med Chem Lett 7: 2289-2294 (1997) Article DOI: 10.1016/S0960-894X(97)00405-8 BindingDB Entry DOI: 10.7270/Q2HD7W4M
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Retinoic acid receptor gamma				Bioorg Med Chem Lett 7: 2289-2294 (1997) Article DOI: 10.1016/S0960-894X(97)00405-8 BindingDB Entry DOI: 10.7270/Q2HD7W4M
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIRD GALDERMA Curated by ChEMBL					Assay Description Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand				J Med Chem 38: 4993-5006 (1996) BindingDB Entry DOI: 10.7270/Q20G3J8S
CIRD GALDERMA Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Retinoic acid receptor alpha				Bioorg Med Chem Lett 7: 2289-2294 (1997) Article DOI: 10.1016/S0960-894X(97)00405-8 BindingDB Entry DOI: 10.7270/Q2HD7W4M
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIRD GALDERMA Curated by ChEMBL					Assay Description Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand				J Med Chem 38: 4993-5006 (1996) BindingDB Entry DOI: 10.7270/Q20G3J8S
CIRD GALDERMA Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Nestle Skin Health Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...				Bioorg Med Chem Lett 28: 1736-1741 (2018) Article DOI: 10.1016/j.bmcl.2018.04.036 BindingDB Entry DOI: 10.7270/Q2N300JQ
Nestle Skin Health Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
Nestle Skin Health Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...				Bioorg Med Chem Lett 28: 1736-1741 (2018) Article DOI: 10.1016/j.bmcl.2018.04.036 BindingDB Entry DOI: 10.7270/Q2N300JQ
Nestle Skin Health Curated by ChEMBL					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Thiosulfate sulfurtransferase (Homo sapiens)	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
HSP60/HSP10 (Homo sapiens)	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Nestle Skin Health Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...				Bioorg Med Chem Lett 28: 1736-1741 (2018) Article DOI: 10.1016/j.bmcl.2018.04.036 BindingDB Entry DOI: 10.7270/Q2N300JQ
Nestle Skin Health Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
60 kDa chaperonin (Escherichia coli)	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...				J Med Chem 58: 2958-66 (2015) Article DOI: 10.1021/jm501873p BindingDB Entry DOI: 10.7270/Q22F7Q4V
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50048280 (6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair