BDBM256363 US9487490, 4K

SMILES: CN(C1CCCCC1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O

InChI Key: InChIKey=JGZIIFIESMANPE-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 256363   

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))	BDBM256363 (US9487490, 4K) Show SMILES CN(C1CCCCC1)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/C30H29ClF3N3O4/c1-36(20-6-3-2-4-7-20)27(38)19-14-15-21-24(16-19)37(35-26(21)17-10-12-18(13-11-17)29(40)41)28(39)25-22(30(32,33)34)8-5-9-23(25)31/h5,8-10,14-16,18,20H,2-4,6-7,11-13H2,1H3,(H,40,41)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	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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