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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM209551'   
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


(Mus musculus (mouse))
BDBM209551
PNG
(US9271969, 39)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)ccc1F |r,wD:4.3,(11.99,-5.08,;10.65,-4.31,;10.65,-2.77,;9.32,-5.08,;7.98,-4.31,;7.98,-2.77,;6.65,-2,;5.32,-2.77,;5.32,-4.31,;6.65,-5.08,;3.98,-2,;2.65,-2.77,;1.32,-2,;1.32,-.46,;2.65,.31,;3.98,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-6.6,1.08,;-7.37,-.25,;-7.37,2.41,;-8.91,2.41,;-9.68,1.08,;-11.22,1.08,;-11.99,-.25,;-11.99,2.41,;-11.22,3.75,;-9.68,3.75,;-8.91,5.08,)|
Show InChI InChI=1/C28H25F2N3O3/c29-22-10-11-23(30)24(14-22)32-28(36)25-16-33-15-21(9-12-26(33)31-25)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-27(34)35/h5-12,14-18H,1-4,13H2,(H,32,36)(H,34,35)/t17-,18?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/a7.425



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair