Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50030001   

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 beta (Homo sapiens (Human))	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) 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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	MMDB Article	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RA				Bioorg Med Chem Lett 7: 2313-2318 (1997) Article DOI: 10.1016/S0960-894X(97)00420-4 BindingDB Entry DOI: 10.7270/Q2Z89CDD
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50290137 ((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...) Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O |t:10| Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards cRARbeta2 receptor by displacing 0.82 nM 3[H]-all-trans-RA				Bioorg Med Chem Lett 7: 2313-2318 (1997) Article DOI: 10.1016/S0960-894X(97)00420-4 BindingDB Entry DOI: 10.7270/Q2Z89CDD
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50290138 ((2Z,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...) Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C\C(O)=O |t:10| Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RA				Bioorg Med Chem Lett 7: 2313-2318 (1997) Article DOI: 10.1016/S0960-894X(97)00420-4 BindingDB Entry DOI: 10.7270/Q2Z89CDD
					More data for this Ligand-Target Pair