Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)' and Ligand = 'BDBM39079'   

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
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39079 (1-(3-p-Tolyl-isothiazolo[4,5-d]pyrimidin-7-yl)-pip...) Show SMILES Cc1ccc(cc1)-c1nsc2c(ncnc12)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C18H19N5OS/c1-11-2-4-12(5-3-11)14-15-16(25-22-14)18(21-10-20-15)23-8-6-13(7-9-23)17(19)24/h2-5,10,13H,6-9H2,1H3,(H2,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
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