Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50029795   

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 (Homo sapiens (Human))	BDBM50287964 ((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...) Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor alpha using transactivatio...				Bioorg Med Chem Lett 6: 213-218 (1996) Article DOI: 10.1016/0960-894X(95)00588-K BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50403584 (CHEMBL2111534) Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C\C(O)=O Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor alpha using transactivatio...				Bioorg Med Chem Lett 6: 213-218 (1996) Article DOI: 10.1016/0960-894X(95)00588-K BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50403583 (CHEMBL2111535) Show SMILES C\C(\C=C\C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(O)=O Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor alpha using transactivatio...				Bioorg Med Chem Lett 6: 213-218 (1996) Article DOI: 10.1016/0960-894X(95)00588-K BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
					More data for this Ligand-Target Pair