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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha' and Ligand = 'BDBM304673'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM304673
PNG
((S)-1-(((3S,6r)-1,1-difluorospiro[2.5]octan-6-yl)m...)
Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(C[C@H]2CC[C@@]3(CC3(F)F)CC2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C26H32F2N2O2S/c1-33(31,32)23-9-5-8-22(16-23)29-14-15-30(24(18-29)21-6-3-2-4-7-21)17-20-10-12-25(13-11-20)19-26(25,27)28/h2-9,16,20,24H,10-15,17-19H2,1H3/t20-,24-,25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
50n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US10144715 (2018)

More data for this
Ligand-Target Pair