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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1 (DGAT1)' and Ligand = 'BDBM220966'   
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 (DGAT1)


(Homo sapiens (Human))
BDBM220966
PNG
(US9302996, 114 | US9302996, 81)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(-c2ncc([nH]2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C21H21F3N4O3/c1-11-6-16(31-10-20(3,4)19(29)30)25-8-14(11)13-5-12(2)17(26-7-13)18-27-9-15(28-18)21(22,23)24/h5-9H,10H2,1-4H3,(H,27,28)(H,29,30)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/a7.430



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM220966
PNG
(US9302996, 114 | US9302996, 81)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(-c2ncc([nH]2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C21H21F3N4O3/c1-11-6-16(31-10-20(3,4)19(29)30)25-8-14(11)13-5-12(2)17(26-7-13)18-27-9-15(28-18)21(22,23)24/h5-9H,10H2,1-4H3,(H,27,28)(H,29,30)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/a7.430



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair