BDBM256385 US9487490, 8A

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

InChI Key: InChIKey=IJFFCHQCDHHGDN-HAQNSBGRSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 256385   

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 (Homo sapiens (Human))	BDBM256385 (US9487490, 8A) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |r,wU:6.9,wD:3.2,(-2.81,9.19,;-1.72,8.1,;-.23,8.5,;-2.12,6.61,;-3.62,6.16,;-4.02,4.67,;-2.93,3.59,;-1.44,3.98,;-1.04,5.47,;-3.33,2.1,;-2.42,.85,;-3.33,-.39,;-2.93,-1.88,;-4.02,-2.97,;-1.44,-2.28,;-.35,-1.19,;-.75,.3,;1.13,-1.59,;1.53,-3.08,;.44,-4.17,;-1.04,-3.77,;-2.13,-4.86,;-3.67,-4.86,;-3.22,-5.95,;-1.74,-6.34,;-4.79,.08,;-6.13,-.69,;-7.46,.08,;-7.46,1.62,;-6.13,2.39,;-6.13,3.93,;-4.79,1.62,)| Show InChI InChI=1S/C22H17ClF4N2O3/c23-14-4-1-3-13(22(25,26)27)17(14)20(30)29-16-6-2-5-15(24)18(16)19(28-29)11-7-9-12(10-8-11)21(31)32/h1-6,11-12H,7-10H2,(H,31,32)/t11-,12-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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