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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 2' and Ligand = 'BDBM215594'   
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))
BDBM215594
PNG
(US9296745, 153 | US9296745, 182)
Show SMILES O=C([C@@H]1CCCN(C1)c1ccc2nc([nH]c2n1)-c1cccc(n1)C1CC1)N1CCCC1 |r|
Show InChI InChI=1/C24H28N6O/c31-24(29-12-1-2-13-29)17-5-4-14-30(15-17)21-11-10-20-23(27-21)28-22(26-20)19-7-3-6-18(25-19)16-8-9-16/h3,6-7,10-11,16-17H,1-2,4-5,8-9,12-15H2,(H,26,27,28)/t17-/s2
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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.03n/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 uL. To 1 uL of c...


US Patent US9296745 (2016)


BindingDB Entry DOI: 10.7270/Q25719VW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM215594
PNG
(US9296745, 153 | US9296745, 182)
Show SMILES O=C([C@@H]1CCCN(C1)c1ccc2nc([nH]c2n1)-c1cccc(n1)C1CC1)N1CCCC1 |r|
Show InChI InChI=1/C24H28N6O/c31-24(29-12-1-2-13-29)17-5-4-14-30(15-17)21-11-10-20-23(27-21)28-22(26-20)19-7-3-6-18(25-19)16-8-9-16/h3,6-7,10-11,16-17H,1-2,4-5,8-9,12-15H2,(H,26,27,28)/t17-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 48.1n/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 uL. To 1 uL of c...


US Patent US9296745 (2016)


BindingDB Entry DOI: 10.7270/Q25719VW
More data for this
Ligand-Target Pair