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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 = 'BDBM209532'   
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))
BDBM209532
PNG
(US9271969, 20)
Show SMILES CC(C)(NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1)c1ccc(F)cc1 |r,wD:24.27,(-9.68,-.25,;-8.91,1.08,;-10.24,.31,;-7.37,1.08,;-6.6,-.25,;-7.37,-1.59,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;1.32,-1.79,;1.32,-3.33,;2.65,-4.1,;3.98,-3.33,;3.98,-1.79,;2.65,-1.02,;5.32,-4.1,;6.65,-3.33,;7.98,-4.1,;7.98,-5.64,;9.32,-6.41,;10.65,-5.64,;11.99,-6.41,;10.65,-4.1,;6.65,-6.41,;5.32,-5.64,;-9.68,2.41,;-8.91,3.75,;-9.68,5.08,;-11.22,5.08,;-11.99,6.41,;-11.99,3.75,;-11.22,2.41,)|
Show InChI InChI=1/C31H32FN3O3/c1-31(2,25-12-14-26(32)15-13-25)34-30(38)27-19-35-18-24(11-16-28(35)33-27)23-9-7-22(8-10-23)21-5-3-20(4-6-21)17-29(36)37/h7-16,18-21H,3-6,17H2,1-2H3,(H,34,38)(H,36,37)/t20-,21?
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/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