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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 155260   
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))
BDBM155260
PNG
(US9006244, E3b | US9814715, Example 3, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
1.75E+3n/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 US9006244 (2015)


BindingDB Entry DOI: 10.7270/Q2X92911
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM155260
PNG
(US9006244, E3b | US9814715, Example 3, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.75E+3n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, 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 US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM155260
PNG
(US9006244, E3b | US9814715, Example 3, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
>3.33E+3n/an/an/an/an/an/an/an/a



Vitae Pharamceuticals, 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 US9814715 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W1B
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM155260
PNG
(US9006244, E3b | US9814715, Example 3, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
>3.33E+3n/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 US9006244 (2015)


BindingDB Entry DOI: 10.7270/Q2X92911
More data for this
Ligand-Target Pair