BindingDB PrimarySearch

BDBM50052412 4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-2,6-difluoro-benzoic acid::CHEMBL439780

SMILES: CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1

InChI Key: InChIKey=RMGWEAQQLIKPLW-UHFFFAOYSA-N

Data: 6 Kd 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50052412
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))	BDBM50052412 (4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	4	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 receptor (Homo sapiens (Human))	BDBM50052412 (4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>3.00E+4	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))	BDBM50052412 (4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.74E+4	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
Retinoid receptor (Homo sapiens (Human))	BDBM50052412 (4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	6.40E+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
Retinoic acid receptor alpha/Retinoid X receptor alpha (Homo sapiens (Human))	BDBM50052412 (4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	290	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
Retinoid receptor (Homo sapiens (Human))	BDBM50052412 (4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	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
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50052412 (4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.40	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