BindingDB PrimarySearch

BDBM50048291 6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-2-carboxylic acid::6-[3'-(1-adamantyl)-4'-hydroxyphenyl]-2-naphthalenecarboxylic acid::6-[3'-(1-adamantyl)-4'-hydroxyphenyl]-2-naphthoic acid::CHEMBL1180::O-Demethylated Adapalene

SMILES: OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=LDGIHZJOIQSHPB-UHFFFAOYSA-N

Data: 3 KI 3 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50048291
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))	BDBM50048291 (6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	77	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				3D Structure (crystal)
Retinoid receptor (Homo sapiens (Human))	BDBM50048291 (6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	2.48E+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 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 X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50048291 (6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	6.50E+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))	BDBM50048291 (6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	226	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))	BDBM50048291 (6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	49	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				3D Structure (crystal)
Retinoic acid receptor alpha/Retinoid X receptor alpha (Homo sapiens (Human))	BDBM50048291 (6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	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