Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50157942'   

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 (Homo sapiens (Human))	BDBM50157942 (CHEMBL3781132) Show SMILES [H][C@@]12CCC[C@@]1(c1cc3c(cc1O2)C(C)(C)CCC3(C)C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass...				J Med Chem 59: 1232-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50157942 (CHEMBL3781132) Show SMILES [H][C@@]12CCC[C@@]1(c1cc3c(cc1O2)C(C)(C)CCC3(C)C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	6.31	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assay				J Med Chem 59: 1232-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01702 BindingDB Entry DOI: 10.7270/Q2X63PT7
					More data for this Ligand-Target Pair				3D Structure (crystal)