BDBM256359 US9487490, 4G

SMILES: C[C@H]1CCCN1C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O

InChI Key: InChIKey=WJSVXRQXYZLGEV-MYJWUSKBSA-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 = 256359   

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))	BDBM256359 (US9487490, 4G) Show SMILES C[C@H]1CCCN1C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |r,t:34| Show InChI InChI=1S/C28H25ClF3N3O4/c1-15-4-3-13-34(15)25(36)18-11-12-19-22(14-18)35(33-24(19)16-7-9-17(10-8-16)27(38)39)26(37)23-20(28(30,31)32)5-2-6-21(23)29/h2,5-7,11-12,14-15,17H,3-4,8-10,13H2,1H3,(H,38,39)/t15-,17?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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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