BindingDB logo
myBDB logout

BDBM168093 US9073931, E12

SMILES: CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C

InChI Key: InChIKey=YXXFEOBGLYBWLG-GOSISDBHSA-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 = 168093   
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))
BDBM168093
PNG
(US9073931, E12)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C23H26F3N5O5S/c1-5-36-21(33)14-10-27-22(29-19(14)23(24,25)26)31-7-6-30-16-9-17(37(4,34)35)13(11-32)8-15(16)28-20(30)18(31)12(2)3/h8-10,12,18,32H,5-7,11H2,1-4H3/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

6 -11.2n/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))
BDBM168093
PNG
(US9073931, E12)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C23H26F3N5O5S/c1-5-36-21(33)14-10-27-22(29-19(14)23(24,25)26)31-7-6-30-16-9-17(37(4,34)35)13(11-32)8-15(16)28-20(30)18(31)12(2)3/h8-10,12,18,32H,5-7,11H2,1-4H3/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

49 -9.97n/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