BindingDB PrimarySearch

BDBM50101445 (2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-cyclopropyl]-penta-2,4-dienoic acid::3-Methyl-5-[2-methyl-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-cyclopropyl]-penta-2,4-dienoic acid::CHEMBL75133

SMILES: C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O

InChI Key: InChIKey=BOOOLEGQBVUTKC-NVQSDHBMSA-N

Data: 1 IC50 8 Kd 5 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50101445
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
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro agonistic activity against PPAR gamma along with 100 nM BRL49653				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity against RXR alpha receptor using [3H]-9-cis-RA as radioligand in CV-1 cells				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta				J Med Chem 44: 2298-303 (2001) BindingDB Entry DOI: 10.7270/Q2P84B41
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) 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 UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	0.0800	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma				J Med Chem 44: 2298-303 (2001) BindingDB Entry DOI: 10.7270/Q2P84B41
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) 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 UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-gamma				J Med Chem 44: 2298-303 (2001) BindingDB Entry DOI: 10.7270/Q2P84B41
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) 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 UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha				J Med Chem 44: 2298-303 (2001) BindingDB Entry DOI: 10.7270/Q2P84B41
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) 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 UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Dissociation constant for Retinoic acid receptor gamma				J Med Chem 48: 6212-9 (2005) Article DOI: 10.1021/jm050285w BindingDB Entry DOI: 10.7270/Q26D5SJ6
Universidad de Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-beta				J Med Chem 44: 2298-303 (2001) BindingDB Entry DOI: 10.7270/Q2P84B41
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	>30	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to baculovirus expressed retinoic acid receptor RAR-beta				J Med Chem 44: 2298-303 (2001) BindingDB Entry DOI: 10.7270/Q2P84B41
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) 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 UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-alpha				J Med Chem 44: 2298-303 (2001) BindingDB Entry DOI: 10.7270/Q2P84B41
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) 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 UniChem Patents Similars	PubMed	n/a	n/a	n/a	>30	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to baculovirus expressed retinoic acid receptor RAR-alpha				J Med Chem 44: 2298-303 (2001) BindingDB Entry DOI: 10.7270/Q2P84B41
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) 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 UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro anatagonist activity against RXR alpha in CV-1 cells				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
Ligand Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) 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 UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Dissociation constant for Retinoid X receptor alpha				J Med Chem 48: 6212-9 (2005) Article DOI: 10.1021/jm050285w BindingDB Entry DOI: 10.7270/Q26D5SJ6
Universidad de Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50101445 ((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...) 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 UniChem Patents Similars	PubMed	n/a	n/a	n/a	>30	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to baculovirus expressed retinoic acid receptor RAR-gamma				J Med Chem 44: 2298-303 (2001) BindingDB Entry DOI: 10.7270/Q2P84B41
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair