Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM359502'   

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))	BDBM359502 (4-(6-(azetidine-1-carbonyl)-1- (2-chloro-6- cyclop...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CC(CCc23)C(=O)N2CCC2)c(F)c1 Show InChI InChI=1S/C28H25ClFN3O4/c29-21-4-1-3-18(15-5-6-15)24(21)27(35)33-23-14-16(26(34)32-11-2-12-32)7-10-20(23)25(31-33)19-9-8-17(28(36)37)13-22(19)30/h1,3-4,8-9,13,15-16H,2,5-7,10-12,14H2,(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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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