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BDBM373514 (2-fluoro-3-methoxy-6-(2H-1,2,3-triazol-2-yl)phenyl)((2S,3R)-3-methyl-2-(((5-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)methanone::US9896452, Ex. A338

SMILES: COc1ccc(c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(cn2)C(F)(F)F)c1F)-n1nccn1

InChI Key: InChIKey=NMRYDMKXCPNLQL-RHSMWYFYSA-N

Data: 2 IC50

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 = 373514   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM373514
PNG
((2-fluoro-3-methoxy-6-(2H-1,2,3-triazol-2-yl)pheny...)
Show SMILES COc1ccc(c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(cn2)C(F)(F)F)c1F)-n1nccn1
Show InChI InChI=1S/C23H24F4N6O2/c1-14-4-3-11-32(17(14)13-29-19-8-5-15(12-28-19)23(25,26)27)22(34)20-16(33-30-9-10-31-33)6-7-18(35-2)21(20)24/h5-10,12,14,17H,3-4,11,13H2,1-2H3,(H,28,29)/t14-,17-/m1/s1
PDB

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PC cid
PC sid
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US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM373514
PNG
((2-fluoro-3-methoxy-6-(2H-1,2,3-triazol-2-yl)pheny...)
Show SMILES COc1ccc(c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(cn2)C(F)(F)F)c1F)-n1nccn1
Show InChI InChI=1S/C23H24F4N6O2/c1-14-4-3-11-32(17(14)13-29-19-8-5-15(12-28-19)23(25,26)27)22(34)20-16(33-30-9-10-31-33)6-7-18(35-2)21(20)24/h5-10,12,14,17H,3-4,11,13H2,1-2H3,(H,28,29)/t14-,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair