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BDBM304392 US10144715, Compound 9-7::ethyl (R)-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isobutylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylate

SMILES: CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)CC)c1ccc(F)c(c1)S(C)(=O)=O

InChI Key: InChIKey=OVYOPGSHTATUOV-IBYPIGCZSA-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 = 304392   
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))
BDBM304392
PNG
(US10144715, Compound 9-7 | ethyl (R)-2-(4-(4-fluor...)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)CC)c1ccc(F)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H28F4N4O4S/c1-5-14(3)18-13-30(15-7-8-17(24)19(11-15)36(4,33)34)9-10-31(18)22-28-12-16(21(32)35-6-2)20(29-22)23(25,26)27/h7-8,11-12,14,18H,5-6,9-10,13H2,1-4H3/t14?,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
8n/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))
BDBM304392
PNG
(US10144715, Compound 9-7 | ethyl (R)-2-(4-(4-fluor...)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)CC)c1ccc(F)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H28F4N4O4S/c1-5-14(3)18-13-30(15-7-8-17(24)19(11-15)36(4,33)34)9-10-31(18)22-28-12-16(21(32)35-6-2)20(29-22)23(25,26)27/h7-8,11-12,14,18H,5-6,9-10,13H2,1-4H3/t14?,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
33n/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