Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Ligand = 'BDBM50064254'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Retinoic acid receptor alpha (Mus musculus)	BDBM50064254 ((2E,4E,6E,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES C\C(\C=C/C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11-,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of binding to retinoid A receptor RAR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50064254 ((2E,4E,6E,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES C\C(\C=C/C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11-,15-8+,16-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	102	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Transcriptional activation of retinoic acid receptor RAR alpha				Bioorg Med Chem Lett 5: 523-527 (1995) Article DOI: 10.1016/0960-894X(95)00065-2 BindingDB Entry DOI: 10.7270/Q20G3K4D
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Mus musculus)	BDBM50064254 ((2E,4E,6E,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES C\C(\C=C/C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11-,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing retinoid A receptor RAR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair