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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 155258   
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))
BDBM155258
PNG
(US9006244, E2b | US9814715, Example 2, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
>2.50E+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))
BDBM155258
PNG
(US9006244, E2b | US9814715, Example 2, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
>2.50E+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))
BDBM155258
PNG
(US9006244, E2b | US9814715, Example 2, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/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))
BDBM155258
PNG
(US9006244, E2b | US9814715, Example 2, isomer 2)
Show SMILES CC(C)[C@@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/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