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BDBM168113 US9073931, E24a::US9073931, E24b

SMILES: CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F

InChI Key: InChIKey=VGEORAURCJKCNM-RGUGMKFQSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 168113   
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168113
PNG
(US9073931, E24a | US9073931, E24b)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-12,17,30H,7-8H2,1-4H3/t12?,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168113
PNG
(US9073931, E24a | US9073931, E24b)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-12,17,30H,7-8H2,1-4H3/t12?,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

20n/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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168113
PNG
(US9073931, E24a | US9073931, E24b)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-12,17,30H,7-8H2,1-4H3/t12?,17-/m1/s1
PDB
MMDB

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KEGG

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PC sid
UniChem

Similars

56n/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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168113
PNG
(US9073931, E24a | US9073931, E24b)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(C(C)O)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O3S/c1-11(2)17-19-26-15-6-5-13(33(4,31)32)9-16(15)28(19)7-8-29(17)20-25-10-14(12(3)30)18(27-20)21(22,23)24/h5-6,9-12,17,30H,7-8H2,1-4H3/t12?,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

198n/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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair