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SMILES: COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CCCC1)C(O)=O)OC1CCOCC1

InChI Key: InChIKey=RAKRVJJBPDTYPF-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 489786   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM489786
PNG
(US10995099, Example 30)
Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CCCC1)C(O)=O)OC1CCOCC1 |r|
Show InChI InChI=1S/C27H31BrN2O7S/c1-16-21-23(31)30(27(25(32)33)11-5-6-12-27)26(34)29(24(21)38-22(16)28)15-20(37-17-9-13-36-14-10-17)18-7-3-4-8-19(18)35-2/h3-4,7-8,17,20H,5-6,9-15H2,1-2H3,(H,32,33)/t20-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Nanjing Ruijie Pharmatech Co., Ltd.

US Patent


Assay Description
An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...

US Patent US10995099 (2021)

More data for this
Ligand-Target Pair