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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 = 'BDBM215486'   
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))
BDBM215486
PNG
(US9296745, 154 | US9296745, 41)
Show SMILES Clc1cccc(c1)-c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H24ClN5O/c23-17-7-3-5-15(13-17)20-24-18-8-9-19(25-21(18)26-20)28-12-4-6-16(14-28)22(29)27-10-1-2-11-27/h3,5,7-9,13,16H,1-2,4,6,10-12,14H2,(H,24,25,26)/t16-/s2
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.56n/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))
BDBM215486
PNG
(US9296745, 154 | US9296745, 41)
Show SMILES Clc1cccc(c1)-c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H24ClN5O/c23-17-7-3-5-15(13-17)20-24-18-8-9-19(25-21(18)26-20)28-12-4-6-16(14-28)22(29)27-10-1-2-11-27/h3,5,7-9,13,16H,1-2,4,6,10-12,14H2,(H,24,25,26)/t16-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40.5n/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