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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 = 'BDBM20725'   
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))
BDBM20725
PNG
((1R,2R)-2-{[4-(4-{[(4-cyanophenyl)carbamoyl]amino}...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1 |r|
Show InChI InChI=1S/C27H23N3O4/c28-16-17-4-12-21(13-5-17)29-27(34)30-22-14-10-19(11-15-22)18-6-8-20(9-7-18)25(31)23-2-1-3-24(23)26(32)33/h4-15,23-24H,1-3H2,(H,32,33)(H2,29,30,34)/t23-,24-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/a7.522



Abbott Laboratories



Assay Description
DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...


J Med Chem 51: 380-3 (2008)


Article DOI: 10.1021/jm7013887
BindingDB Entry DOI: 10.7270/Q2KW5DB6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM20725
PNG
((1R,2R)-2-{[4-(4-{[(4-cyanophenyl)carbamoyl]amino}...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1 |r|
Show InChI InChI=1S/C27H23N3O4/c28-16-17-4-12-21(13-5-17)29-27(34)30-22-14-10-19(11-15-22)18-6-8-20(9-7-18)25(31)23-2-1-3-24(23)26(32)33/h4-15,23-24H,1-3H2,(H,32,33)(H2,29,30,34)/t23-,24-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 603n/an/an/an/a7.522



Abbott Laboratories



Assay Description
DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...


J Med Chem 51: 380-3 (2008)


Article DOI: 10.1021/jm7013887
BindingDB Entry DOI: 10.7270/Q2KW5DB6
More data for this
Ligand-Target Pair