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BDBM235033 US9556168, 10C

SMILES: OC(=O)c1ccc(-c2nn(Cc3c(Cl)cccc3C(F)(F)F)c3cc(cc(F)c23)C(=O)N2CCC2)c(F)c1

InChI Key: InChIKey=HYEIELMRFQPSKL-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 = 235033   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM235033
PNG
(US9556168, 10C)
Show SMILES OC(=O)c1ccc(-c2nn(Cc3c(Cl)cccc3C(F)(F)F)c3cc(cc(F)c23)C(=O)N2CCC2)c(F)c1
Show InChI InChI=1S/C26H17ClF5N3O3/c27-18-4-1-3-17(26(30,31)32)16(18)12-35-21-11-14(24(36)34-7-2-8-34)10-20(29)22(21)23(33-35)15-6-5-13(25(37)38)9-19(15)28/h1,3-6,9-11H,2,7-8,12H2,(H,37,38)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...


US Patent US9556168 (2017)


BindingDB Entry DOI: 10.7270/Q2D220MV
More data for this
Ligand-Target Pair