Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM359573'   

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))	BDBM359573 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES Cc1nc2CN(Cc2s1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C32H25ClF4N4O4S/c1-15-38-23-13-40(14-25(23)46-15)28(42)16-5-8-19-24(12-16)41(39-27(19)18-7-6-17(30(44)45)11-22(18)34)29(43)26-20(3-2-4-21(26)33)31(9-10-31)32(35,36)37/h2-4,6-7,11,16H,5,8-10,12-14H2,1H3,(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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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