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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 2' and Ligand = 'BDBM652904'   
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 2


(Homo sapiens (Human))
BDBM652904
PNG
(1-(3-cyano-3-methylcyclobutyl)- 3-(3-(difluorometh...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3C[C@](C)(C3)C#N)c2c1)-c1cccc(OC(F)F)c1 |r,wU:19.20,wD:19.23,(6.84,-1.56,;6.07,-2.9,;7.4,-3.67,;6.63,-5,;7.75,-6.06,;6.2,-6.48,;5.3,-4.23,;4.74,-2.13,;4.74,-.59,;6.07,.18,;3.4,.18,;3.4,1.72,;2.07,2.49,;.73,1.72,;-.73,2.2,;-1.64,.95,;-.73,-.29,;-1.21,-1.76,;-2.58,-2.46,;-1.88,-3.83,;-1.52,-5.33,;-.51,-3.13,;-3.05,-4.83,;-4.22,-5.83,;.73,.18,;2.07,-.59,;-1.21,3.66,;-.18,4.81,;-.65,6.27,;-2.16,6.59,;-3.19,5.45,;-4.7,5.77,;-5.17,7.23,;-6.68,7.55,;-4.14,8.38,;-2.71,3.98,)|
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PC cid
PC sid
UniChem
n/an/a 70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair