BindingDB logo
myBDB logout

BDBM168094 US9073931, E13a

SMILES: CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F

InChI Key: InChIKey=QVTVCGSKZXEEPI-QGZVFWFLSA-N

Data: 2 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 2 hits for monomerid = 168094   
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))
BDBM168094
PNG
(US9073931, E13a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O4S/c1-11(2)17-19-26-14-6-12(9-30)16(34(3,32)33)7-15(14)28(19)4-5-29(17)20-25-8-13(10-31)18(27-20)21(22,23)24/h6-8,11,17,30-31H,4-5,9-10H2,1-3H3/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
17 -10.6n/an/an/an/an/an/a25



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))
BDBM168094
PNG
(US9073931, E13a)
Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N5O4S/c1-11(2)17-19-26-14-6-12(9-30)16(34(3,32)33)7-15(14)28(19)4-5-29(17)20-25-8-13(10-31)18(27-20)21(22,23)24/h6-8,11,17,30-31H,4-5,9-10H2,1-3H3/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
409 -8.71n/an/an/an/an/an/a25



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