Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Ligand = 'BDBM50075881'   

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))	BDBM50075881 (4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-1-th...) Show SMILES Cc1ccc(s1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:7| Show InChI InChI=1S/C27H22O2S2/c1-16-4-11-24(30-16)23-15-27(2,3)31-25-14-20-10-9-19(12-21(20)13-22(23)25)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Allergan Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of [3H]- RA to baculovirus expressed human RAR alpha				Bioorg Med Chem Lett 9: 743-8 (1999) BindingDB Entry DOI: 10.7270/Q26Q1WFP
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