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BDBM304622 (S)-1-(((1s,4R)-4-(difluoromethyl)cyclohexyl)methyl)-4-(3-(methylsulfonyl)phenyl)-2-phenylpiperazine::US10144715, Compound 48-17

SMILES: CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)F

InChI Key: InChIKey=XQHTVSOMTJRZEI-GGFVOEBESA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 304622   
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))
BDBM304622
PNG
((S)-1-(((1s,4R)-4-(difluoromethyl)cyclohexyl)methy...)
Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)F
Show InChI InChI=1S/C25H30F2N2O3S/c1-33(31,32)22-9-5-8-21(16-22)28-14-15-29(23(17-28)18-6-3-2-4-7-18)25(30)20-12-10-19(11-13-20)24(26)27/h2-9,16,19-20,23-24H,10-15,17H2,1H3/t19-,20?,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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)

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


(Homo sapiens (human))
BDBM304622
PNG
((S)-1-(((1s,4R)-4-(difluoromethyl)cyclohexyl)methy...)
Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)F
Show InChI InChI=1S/C25H30F2N2O3S/c1-33(31,32)22-9-5-8-21(16-22)28-14-15-29(23(17-28)18-6-3-2-4-7-18)25(30)20-12-10-19(11-13-20)24(26)27/h2-9,16,19-20,23-24H,10-15,17H2,1H3/t19-,20?,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
60n/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))
BDBM304622
PNG
((S)-1-(((1s,4R)-4-(difluoromethyl)cyclohexyl)methy...)
Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)F
Show InChI InChI=1S/C25H30F2N2O3S/c1-33(31,32)22-9-5-8-21(16-22)28-14-15-29(23(17-28)18-6-3-2-4-7-18)25(30)20-12-10-19(11-13-20)24(26)27/h2-9,16,19-20,23-24H,10-15,17H2,1H3/t19-,20?,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 287n/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
This assay is based on the ability of the LXR-LBDs (LXRα and LXRβ) to recruit and interact with a co-activator peptide. This assay was run ...


US Patent US10144715 (2018)

More data for this
Ligand-Target Pair