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BDBM304533 (R)-1-(2-(difluoromethoxy)pyridin-4-yl)-4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isopropylpiperazine::US10144715, Compound 44-1

SMILES: CC(C)[C@@H]1CN(CCN1c1ccnc(OC(F)F)c1)c1ccc(F)c(c1)S(C)(=O)=O

InChI Key: InChIKey=CCZANINLKOMNJX-KRWDZBQOSA-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 = 304533   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304533
PNG
((R)-1-(2-(difluoromethoxy)pyridin-4-yl)-4-(4-fluor...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ccnc(OC(F)F)c1)c1ccc(F)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C20H24F3N3O3S/c1-13(2)17-12-25(14-4-5-16(21)18(10-14)30(3,27)28)8-9-26(17)15-6-7-24-19(11-15)29-20(22)23/h4-7,10-11,13,17,20H,8-9,12H2,1-3H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US10144715 (2018)

More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM304533
PNG
((R)-1-(2-(difluoromethoxy)pyridin-4-yl)-4-(4-fluor...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ccnc(OC(F)F)c1)c1ccc(F)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C20H24F3N3O3S/c1-13(2)17-12-25(14-4-5-16(21)18(10-14)30(3,27)28)8-9-26(17)15-6-7-24-19(11-15)29-20(22)23/h4-7,10-11,13,17,20H,8-9,12H2,1-3H3/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
45n/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 US10144715 (2018)

More data for this
Ligand-Target Pair