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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 569.5
BDBM530622
Wt: 569.5
BDBM530623
Wt: 569.5
BDBM50594459

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530622
PNG
(WO2022076495, EXAMPLE 66a)
Show SMILES C[C@H](n1c2cc(ccc2n(-c2cc(OC(F)F)ccc2F)c1=O)C(=O)NC1(C)CCS(=O)(=O)CC1)C(C)(C)O |r,wU:1.0,(.14,1.73,;1.65,1.41,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-4.38,-5.29,;-2.39,-3.51,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;7.59,1.78,;8.93,-.53,;10.26,.24,;10.79,-1.21,;9.27,1.42,;9.8,2.86,;11.31,3.13,;10.79,4.58,;12.65,3.9,;12.3,1.95,;11.78,.5,;2.68,2.55,;4.19,2.23,;3.16,1.09,;2.2,4.02,)|
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022076495
n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product 13Ci8-triolein (13C-l,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP4981
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50594459
PNG
(CHEMBL5179522)
Show SMILES CC(n1c2cc(ccc2n(-c2cc(OC(F)F)ccc2F)c1=O)C(=O)NC1(C)CCS(=O)(=O)CC1)C(C)(C)O |(2.41,-4.44,;3.43,-3.29,;2.95,-1.83,;1.48,-1.37,;.14,-2.14,;-1.2,-1.37,;-1.19,.17,;.13,.94,;1.47,.18,;2.93,.66,;3.4,2.12,;4.91,2.45,;5.38,3.91,;6.88,4.24,;7.92,3.1,;9.42,3.43,;7.45,1.64,;4.34,5.06,;2.83,4.72,;2.37,3.25,;.86,2.92,;3.85,-.58,;5.39,-.57,;-2.53,-2.14,;-2.53,-3.68,;-3.86,-1.37,;-5.2,-2.14,;-5.61,-.65,;-6.53,-1.36,;-7.86,-2.12,;-7.88,-3.66,;-8.66,-4.99,;-9.42,-3.65,;-6.54,-4.43,;-5.2,-3.67,;4.93,-3.59,;5.42,-5.06,;5.95,-2.44,;6.41,-3.99,)|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00247
BindingDB Entry DOI: 10.7270/Q2V128TJ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM530623
PNG
(WO2022076495, EXAMPLE 66b)
Show SMILES C[C@@H](n1c2cc(ccc2n(-c2cc(OC(F)F)ccc2F)c1=O)C(=O)NC1(C)CCS(=O)(=O)CC1)C(C)(C)O |r,wD:1.0,(.14,1.73,;1.65,1.41,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-4.38,-5.29,;-2.39,-3.51,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;7.59,1.78,;8.93,-.53,;10.26,.24,;10.79,-1.21,;9.27,1.42,;9.8,2.86,;11.31,3.13,;10.79,4.58,;12.65,3.9,;12.3,1.95,;11.78,.5,;2.68,2.55,;4.19,2.23,;3.16,1.09,;2.2,4.02,)|
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022076495
n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product 13Ci8-triolein (13C-l,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP4981
More data for this
Ligand-Target Pair