Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM235032'   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM235032 (US9556168, 10B) Show SMILES OC(=O)c1cc(F)c(cc1O)-c1nn(Cc2c(Cl)cccc2C(F)(F)F)c2cc(cc(F)c12)C(=O)N1CCC1 Show InChI InChI=1S/C26H17ClF5N3O4/c27-17-4-1-3-16(26(30,31)32)15(17)11-35-20-8-12(24(37)34-5-2-6-34)7-19(29)22(20)23(33-35)13-10-21(36)14(25(38)39)9-18(13)28/h1,3-4,7-10,36H,2,5-6,11H2,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US9556168 (2017) BindingDB Entry DOI: 10.7270/Q2D220MV
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