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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1 (ACC1)' and Ligand = 'BDBM459208'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459208
PNG
(2-[1-[2-[[(3aR,6aS)-5-ethyl-5-hydroxy-2,3,3a,4,6,6...)
Show SMILES CCC1(O)C[C@@H]2C[C@@H](C[C@@H]2C1)OC(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)c1ccccc1OC
Show InChI InChI=1S/C33H39N3O8S/c1-6-33(41)15-19-13-21(14-20(19)16-33)44-24(22-9-7-8-10-23(22)42-5)17-35-29-25(18(2)26(45-29)27-34-11-12-43-27)28(37)36(31(35)40)32(3,4)30(38)39/h7-12,19-21,24,41H,6,13-17H2,1-5H3,(H,38,39)/t19-,20+,21-,24?,33?
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PC cid
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US Patent
n/an/a 0.880n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair