BDBM50035477 (2E,4E,6E)-8-[2-Isopropyl-3-methyl-cyclohex-2-en-(E)-ylidene]-3,7-dimethyl-octa-2,4,6-trienoic acid::CHEMBL333032
SMILES: CC(C)C1=C(C)CCC\C1=C/C(/C)=C/C=C/C(/C)=C/C(O)=O
InChI Key: InChIKey=BYHSFJNWVLBCIM-YTYRTVNFSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Cellular retinoic acid-binding protein I (Gallus gallus) | BDBM50035477 ((2E,4E,6E)-8-[2-Isopropyl-3-methyl-cyclohex-2-en-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham Curated by ChEMBL | Assay Description Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin | J Med Chem 37: 4499-507 (1995) BindingDB Entry DOI: 10.7270/Q2H41QFJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cellular retinoic acid-binding protein I (Gallus gallus) | BDBM50035477 ((2E,4E,6E)-8-[2-Isopropyl-3-methyl-cyclohex-2-en-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham Curated by ChEMBL | Assay Description Inhibition of [3H]-ATRA binding to chick skin Cytoplasmic retinoic acid binding protein | J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Retinoic acid receptor alpha (Mus musculus) | BDBM50035477 ((2E,4E,6E)-8-[2-Isopropyl-3-methyl-cyclohex-2-en-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham Curated by ChEMBL | Assay Description Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RAR alpha | J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cellular retinoic acid-binding protein I (Mus musculus) | BDBM50035477 ((2E,4E,6E)-8-[2-Isopropyl-3-methyl-cyclohex-2-en-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham Curated by ChEMBL | Assay Description Inhibition of [3H]-ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 1 | J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Retinoic acid receptor RXR-alpha (Homo sapiens (Human)) | BDBM50035477 ((2E,4E,6E)-8-[2-Isopropyl-3-methyl-cyclohex-2-en-(...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | >200 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham Curated by ChEMBL | Assay Description Inhibition of binding to human Retinoic acid receptor RXR DEF domain | J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cellular retinoic acid-binding protein II (Mus musculus) | BDBM50035477 ((2E,4E,6E)-8-[2-Isopropyl-3-methyl-cyclohex-2-en-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham Curated by ChEMBL | Assay Description Inhibition of [3H]-ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 2 | J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Retinoid X receptor alpha (Mus musculus) | BDBM50035477 ((2E,4E,6E)-8-[2-Isopropyl-3-methyl-cyclohex-2-en-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham Curated by ChEMBL | Assay Description Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RXR alpha | J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z | |||||||||||
More data for this Ligand-Target Pair |