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BDBM304402 (R)-2-fluoro-5-(4-(5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-yl)-3-isopropylpiperazin-1-yl)-N-methylbenzenesulfonamide::US10144715, Compound 10-3

SMILES: CNS(=O)(=O)c1cc(ccc1F)N1CCN([C@@H](C1)C(C)C)c1ncc(c(n1)C(F)(F)F)C(C)(C)O

InChI Key: InChIKey=ZFAZSJUOGZNAMM-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 = 304402   
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))
BDBM304402
PNG
((R)-2-fluoro-5-(4-(5-(2-hydroxypropan-2-yl)-4-(tri...)
Show SMILES CNS(=O)(=O)c1cc(ccc1F)N1CCN([C@@H](C1)C(C)C)c1ncc(c(n1)C(F)(F)F)C(C)(C)O |r|
Show InChI InChI=1S/C22H29F4N5O3S/c1-13(2)17-12-30(14-6-7-16(23)18(10-14)35(33,34)27-5)8-9-31(17)20-28-11-15(21(3,4)32)19(29-20)22(24,25)26/h6-7,10-11,13,17,27,32H,8-9,12H2,1-5H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5n/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)


BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM304402
PNG
((R)-2-fluoro-5-(4-(5-(2-hydroxypropan-2-yl)-4-(tri...)
Show SMILES CNS(=O)(=O)c1cc(ccc1F)N1CCN([C@@H](C1)C(C)C)c1ncc(c(n1)C(F)(F)F)C(C)(C)O |r|
Show InChI InChI=1S/C22H29F4N5O3S/c1-13(2)17-12-30(14-6-7-16(23)18(10-14)35(33,34)27-5)8-9-31(17)20-28-11-15(21(3,4)32)19(29-20)22(24,25)26/h6-7,10-11,13,17,27,32H,8-9,12H2,1-5H3/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
135n/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)


BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair