Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50031458'   

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 RXR-alpha (Mus musculus)	BDBM50031458 ((2Z,5E)-7-Methyl-3-[(E)-2-(2,6,6-trimethyl-cyclohe...) Show SMILES CCC(C)\C=C\C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C(O)=O |c:10| Show InChI InChI=1S/C21H32O2/c1-6-16(2)9-7-11-18(15-20(22)23)12-13-19-17(3)10-8-14-21(19,4)5/h7,9,12-13,15-16H,6,8,10-11,14H2,1-5H3,(H,22,23)/b9-7+,13-12+,18-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	73	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 murine Retinoid X receptor RXR alpha				J Med Chem 38: 2302-10 (1995) BindingDB Entry DOI: 10.7270/Q2S181H8
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50031458 ((2Z,5E)-7-Methyl-3-[(E)-2-(2,6,6-trimethyl-cyclohe...) Show SMILES CCC(C)\C=C\C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C(O)=O |c:10| Show InChI InChI=1S/C21H32O2/c1-6-16(2)9-7-11-18(15-20(22)23)12-13-19-17(3)10-8-14-21(19,4)5/h7,9,12-13,15-16H,6,8,10-11,14H2,1-5H3,(H,22,23)/b9-7+,13-12+,18-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Binding affinity for human Retinoid X receptor RXR alpha				J Med Chem 38: 2302-10 (1995) BindingDB Entry DOI: 10.7270/Q2S181H8
					More data for this Ligand-Target Pair