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BDBM50424530 CHEMBL2312122

SMILES: COc1cc(O)c(C(CC(=O)N2CCCC(C2)C(F)(F)F)c2ccc3OCOc3c2)c(OC)c1

InChI Key: InChIKey=HQTZZWHUSIYTDB-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50424530   
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))
BDBM50424530
PNG
(CHEMBL2312122)
Show SMILES COc1cc(O)c(C(CC(=O)N2CCCC(C2)C(F)(F)F)c2ccc3OCOc3c2)c(OC)c1
Show InChI InChI=1/C24H26F3NO6/c1-31-16-9-18(29)23(21(10-16)32-2)17(14-5-6-19-20(8-14)34-13-33-19)11-22(30)28-7-3-4-15(12-28)24(25,26)27/h5-6,8-10,15,17,29H,3-4,7,11-13H2,1-2H3
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair