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BDBM304529 (R)-1-(6-cyclopropyl-5-(trifluoromethyl)pyridin-2-yl)-2-isopropyl-4-(3-(methylsulfonyl)phenyl)piperazine::US10144715, Compound 40-4

SMILES: CC(C)[C@@H]1CN(CCN1c1ccc(c(n1)C1CC1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O

InChI Key: InChIKey=NSWRBHFZGBXSGU-FQEVSTJZSA-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 = 304529   
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))
BDBM304529
PNG
((R)-1-(6-cyclopropyl-5-(trifluoromethyl)pyridin-2-...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(c(n1)C1CC1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H28F3N3O2S/c1-15(2)20-14-28(17-5-4-6-18(13-17)32(3,30)31)11-12-29(20)21-10-9-19(23(24,25)26)22(27-21)16-7-8-16/h4-6,9-10,13,15-16,20H,7-8,11-12,14H2,1-3H3/t20-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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)


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


(Homo sapiens (Human))
BDBM304529
PNG
((R)-1-(6-cyclopropyl-5-(trifluoromethyl)pyridin-2-...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(c(n1)C1CC1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H28F3N3O2S/c1-15(2)20-14-28(17-5-4-6-18(13-17)32(3,30)31)11-12-29(20)21-10-9-19(23(24,25)26)22(27-21)16-7-8-16/h4-6,9-10,13,15-16,20H,7-8,11-12,14H2,1-3H3/t20-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
14n/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