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BDBM276761 (S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-N-(3-(hydroxymethyl)tetrahydrofuran-3-yl)pyrimidine-5-carboxamide::US10071992, Example 6b::US11034678, Example 6b::US11065249, WO2018033832-Ex.-6a

SMILES: CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@]1(CO)CCOC1

InChI Key: InChIKey=DFNKRIPGDXQUEM-QFIPXVFZSA-N

Data: 3 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 3 hits for monomerid = 276761   
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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276761
PNG
((S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@]1(CO)CCOC1 |r|
Show InChI InChI=1S/C22H23N5O5/c1-2-31-18-4-3-6-24-21(18)32-17-8-15(9-23-12-17)19-25-10-16(11-26-19)20(29)27-22(13-28)5-7-30-14-22/h3-4,6,8-12,28H,2,5,7,13-14H2,1H3,(H,27,29)/t22-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 23.2n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US10071992 (2018)


BindingDB Entry DOI: 10.7270/Q2RJ4MHN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276761
PNG
((S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@]1(CO)CCOC1 |r|
Show InChI InChI=1S/C22H23N5O5/c1-2-31-18-4-3-6-24-21(18)32-17-8-15(9-23-12-17)19-25-10-16(11-26-19)20(29)27-22(13-28)5-7-30-14-22/h3-4,6,8-12,28H,2,5,7,13-14H2,1H3,(H,27,29)/t22-/m0/s1
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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 23.2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276761
PNG
((S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@]1(CO)CCOC1 |r|
Show InChI InChI=1S/C22H23N5O5/c1-2-31-18-4-3-6-24-21(18)32-17-8-15(9-23-12-17)19-25-10-16(11-26-19)20(29)27-22(13-28)5-7-30-14-22/h3-4,6,8-12,28H,2,5,7,13-14H2,1H3,(H,27,29)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair