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BDBM373502 (S)-(4,4-difluoro-2-(((5-(trifluoromethyl)pyrimidin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(pyrimidin-2-yl)phenyl)methanone::US9896452, Ex. A312

SMILES: Cc1ccc(-c2ncccn2)c(c1)C(=O)N1CCC(F)(F)CC1CNc1ncc(cn1)C(F)(F)F

InChI Key: InChIKey=RTLNETICFGUGJA-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 373502   
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))
BDBM373502
PNG
((S)-(4,4-difluoro-2-(((5-(trifluoromethyl)pyrimidi...)
Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1CCC(F)(F)CC1CNc1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C23H21F5N6O/c1-14-3-4-17(19-29-6-2-7-30-19)18(9-14)20(35)34-8-5-22(24,25)10-16(34)13-33-21-31-11-15(12-32-21)23(26,27)28/h2-4,6-7,9,11-12,16H,5,8,10,13H2,1H3,(H,31,32,33)
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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))
BDBM373502
PNG
((S)-(4,4-difluoro-2-(((5-(trifluoromethyl)pyrimidi...)
Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1CCC(F)(F)CC1CNc1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C23H21F5N6O/c1-14-3-4-17(19-29-6-2-7-30-19)18(9-14)20(35)34-8-5-22(24,25)10-16(34)13-33-21-31-11-15(12-32-21)23(26,27)28/h2-4,6-7,9,11-12,16H,5,8,10,13H2,1H3,(H,31,32,33)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 144n/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