Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Ligand = 'BDBM50061625'   

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))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Agonistic activity of the compound towards retinoic acid receptor-alpha				J Med Chem 40: 4222-34 (1998) Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)				J Med Chem 43: 409-19 (2000) BindingDB Entry DOI: 10.7270/Q28S4P4M
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Agonist activity at RARalpha				J Med Chem 53: 6779-810 (2010) Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM
					More data for this Ligand-Target Pair