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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM304644'   
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-beta


(Homo sapiens (Human))
BDBM304644
PNG
((S)-2-(4-fluorophenyl)-4-(3-(methylsulfonyl)phenyl...)
Show SMILES NS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccc(F)cc1)C(=O)C1CCC[C@H](C1)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F4N3O3S/c25-19-9-7-16(8-10-19)22-15-30(20-5-2-6-21(14-20)35(29,33)34)11-12-31(22)23(32)17-3-1-4-18(13-17)24(26,27)28/h2,5-10,14,17-18,22H,1,3-4,11-13,15H2,(H2,29,33,34)/t17?,18-,22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7n/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)


BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304644
PNG
((S)-2-(4-fluorophenyl)-4-(3-(methylsulfonyl)phenyl...)
Show SMILES NS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccc(F)cc1)C(=O)C1CCC[C@H](C1)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F4N3O3S/c25-19-9-7-16(8-10-19)22-15-30(20-5-2-6-21(14-20)35(29,33)34)11-12-31(22)23(32)17-3-1-4-18(13-17)24(26,27)28/h2,5-10,14,17-18,22H,1,3-4,11-13,15H2,(H2,29,33,34)/t17?,18-,22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
156n/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)


BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair