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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 = 'BDBM209531'   
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))
BDBM209531
PNG
(US9271969, 19)
Show SMILES CC(C)c1ccc(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)cc1 |r,wD:29.32,(-10.45,7.08,;-11.22,5.75,;-12.76,5.75,;-10.45,4.41,;-8.91,4.41,;-8.14,3.08,;-8.91,1.75,;-8.14,.41,;-6.6,.41,;-5.83,-.92,;-6.6,-2.25,;-4.28,-.92,;-3.38,-2.17,;-1.92,-1.69,;-.58,-2.46,;.75,-1.69,;.75,-.15,;-.58,.62,;-1.92,-.15,;-3.38,.32,;2.09,-2.46,;2.09,-4,;3.42,-4.77,;4.75,-4,;4.75,-2.46,;3.42,-1.69,;6.09,-4.77,;7.42,-4,;8.75,-4.77,;8.75,-6.31,;10.09,-7.08,;11.42,-6.31,;12.76,-7.08,;11.42,-4.77,;7.42,-7.08,;6.09,-6.31,;-10.45,1.75,;-11.22,3.08,)|
Show InChI InChI=1/C32H35N3O3/c1-21(2)24-7-5-23(6-8-24)18-33-32(38)29-20-35-19-28(15-16-30(35)34-29)27-13-11-26(12-14-27)25-9-3-22(4-10-25)17-31(36)37/h5-8,11-16,19-22,25H,3-4,9-10,17-18H2,1-2H3,(H,33,38)(H,36,37)/t22-,25?
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KEGG

UniProtKB/SwissProt

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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