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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM321137'   
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 1


(Homo sapiens (Human))
BDBM321137
PNG
(US10174049, Example 4 | US9738658, Example 4)
Show SMILES CC(C)(O)Cn1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C19H21N5O3/c1-19(2,26)10-23-6-5-12-9-13(3-4-14(12)23)24-7-8-27-17-15(18(24)25)16(20)21-11-22-17/h3-6,9,11,26H,7-8,10H2,1-2H3,(H2,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31.3n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM321137
PNG
(US10174049, Example 4 | US9738658, Example 4)
Show SMILES CC(C)(O)Cn1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C19H21N5O3/c1-19(2,26)10-23-6-5-12-9-13(3-4-14(12)23)24-7-8-27-17-15(18(24)25)16(20)21-11-22-17/h3-6,9,11,26H,7-8,10H2,1-2H3,(H2,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31.3n/an/an/an/an/an/a



Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair