Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM359504'   

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))	BDBM359504 (US10221142, Example 7A) Show SMILES CC(C)(C)OC(=O)N1CCCc2c1c(nn2C(=O)c1c(Cl)cccc1C1CC1)-c1ccc(cc1F)C(O)=O Show InChI InChI=1S/C28H27ClFN3O5/c1-28(2,3)38-27(37)32-13-5-8-21-24(32)23(18-12-11-16(26(35)36)14-20(18)30)31-33(21)25(34)22-17(15-9-10-15)6-4-7-19(22)29/h4,6-7,11-12,14-15H,5,8-10,13H2,1-3H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	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 US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
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