BindingDB PrimarySearch

BDBM50092055 (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide::(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenamide::3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide::4-hydroxyphenyl retinamide::CHEMBL7301::FENRETINIDE::N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE::N-(4-hydroxyphenyl)-retinamide::N-(4-hydroxyphenyl)retinamide::N-(4-hydroxyphenyl)retinamide, 4-HPR

SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1

InChI Key: InChIKey=AKJHMTWEGVYYSE-FXILSDISSA-N

Data: 4 KI 2 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50092055
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))	BDBM50092055 ((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity against Retinoic acid receptor gamma				Bioorg Med Chem Lett 11: 1583-6 (2001) BindingDB Entry DOI: 10.7270/Q20R9NQW
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50092055 ((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor RAR alpha				Bioorg Med Chem Lett 12: 2447-50 (2002) BindingDB Entry DOI: 10.7270/Q29K49JP
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50092055 ((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor RAR beta				Bioorg Med Chem Lett 12: 2447-50 (2002) BindingDB Entry DOI: 10.7270/Q29K49JP
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50092055 ((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor RAR gamma				Bioorg Med Chem Lett 12: 2447-50 (2002) BindingDB Entry DOI: 10.7270/Q29K49JP
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50092055 ((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.37E+3	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as disruption of ROH-sRBP-TTR protein inter...				J Med Chem 54: 4378-87 (2011) Article DOI: 10.1021/jm200256g BindingDB Entry DOI: 10.7270/Q2D21XZ4
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 2 (Mus musculus)	BDBM50092055 ((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...				Bioorg Med Chem Lett 22: 7641-6 (2012) Article DOI: 10.1016/j.bmcl.2012.10.010 BindingDB Entry DOI: 10.7270/Q20G3M92
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50092055 ((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...				Bioorg Med Chem Lett 22: 7641-6 (2012) Article DOI: 10.1016/j.bmcl.2012.10.010 BindingDB Entry DOI: 10.7270/Q20G3M92
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair