BDBM256368 US9487490, 4P

SMILES: CN(C1CCOCC1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O

InChI Key: InChIKey=OOFHDBBONAVJJF-UHFFFAOYSA-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 = 256368   

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
Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256368 (US9487490, 4P) Show SMILES CN(C1CCOCC1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:36| Show InChI InChI=1S/C29H27ClF3N3O5/c1-35(19-11-13-41-14-12-19)26(37)18-9-10-20-23(15-18)36(34-25(20)16-5-7-17(8-6-16)28(39)40)27(38)24-21(29(31,32)33)3-2-4-22(24)30/h2-5,9-10,15,17,19H,6-8,11-14H2,1H3,(H,39,40)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	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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