null

SMILES: C[C@@]1(CC[C@@H](CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12)C(O)=O

InChI Key: InChIKey=OJVACVRAWQVAIH-ZCNVGUKTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 256386   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM256386 (US9487490, 9A) Show SMILES C[C@@]1(CC[C@@H](CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12)C(O)=O |r,wU:4.7,1.0,wD:1.33,(-2.14,8.14,;-2.41,6.62,;-3.44,5.48,;-2.96,4.01,;-1.45,3.69,;-.42,4.84,;-.9,6.3,;-.98,2.23,;-1.88,.98,;-.98,-.27,;-1.45,-1.73,;-.42,-2.87,;-2.96,-2.05,;-3.99,-.91,;-3.51,.56,;-5.5,-1.23,;-5.97,-2.69,;-4.94,-3.84,;-3.44,-3.51,;-2.41,-4.66,;-2.8,-6.15,;-1.32,-5.75,;-.87,-4.66,;.49,.21,;1.82,-.56,;3.15,.21,;3.15,1.75,;1.82,2.52,;1.82,4.06,;.49,1.75,;-3.51,7.69,;-4.99,7.27,;-3.14,9.18,)| Show InChI InChI=1S/C23H19ClF4N2O3/c1-22(21(32)33)10-8-12(9-11-22)19-18-15(25)6-3-7-16(18)30(29-19)20(31)17-13(23(26,27)28)4-2-5-14(17)24/h2-7,12H,8-11H2,1H3,(H,32,33)/t12-,22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	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
					More data for this Ligand-Target Pair