Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform 2 of Nuclear receptor ROR-gamma (RORgT)' and Ligand = 'BDBM256373'   

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-gamma (RORgT) (Homo sapiens (Human))	BDBM256373 (US9487490, 4U) Show SMILES CC(C)N(C)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:32| Show InChI InChI=1S/C27H25ClF3N3O4/c1-14(2)33(3)24(35)17-11-12-18-21(13-17)34(32-23(18)15-7-9-16(10-8-15)26(37)38)25(36)22-19(27(29,30)31)5-4-6-20(22)28/h4-7,11-14,16H,8-10H2,1-3H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	164	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
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