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BDBM168125 US9073931, E30

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

InChI Key: InChIKey=ZWGZCSXCYWYFTL-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 = 168125   
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))
BDBM168125
PNG
(US9073931, E30)
Show SMILES COC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C22H24F3N5O5S/c1-11(2)17-19-27-14-7-12(10-31)16(36(4,33)34)8-15(14)29(19)5-6-30(17)21-26-9-13(20(32)35-3)18(28-21)22(23,24)25/h7-9,11,17,31H,5-6,10H2,1-4H3/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

10n/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))
BDBM168125
PNG
(US9073931, E30)
Show SMILES COC(=O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C22H24F3N5O5S/c1-11(2)17-19-27-14-7-12(10-31)16(36(4,33)34)8-15(14)29(19)5-6-30(17)21-26-9-13(20(32)35-3)18(28-21)22(23,24)25/h7-9,11,17,31H,5-6,10H2,1-4H3/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

129n/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