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SMILES: CCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCSCC2)c2nc(C)nn12

InChI Key: InChIKey=SCMJNQALJSOOGD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 107338   
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-coenzyme A transporter 1


(Homo sapiens (Human))		BDBM107338
PNG
(US8592431, 113)
Show SMILES CCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCSCC2)c2nc(C)nn12
Show InChI InChI=1S/C29H29FN6O3S/c1-3-6-25-23(27(37)35(20-11-13-40-14-12-20)28-31-17(2)33-36(25)28)15-19-10-9-18(16-24(19)30)21-7-4-5-8-22(21)26-32-29(38)39-34-26/h4-5,7-10,16,20H,3,6,11-15H2,1-2H3,(H,32,34,38)
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Similars
US Patent
n/an/a 1.5n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...

US Patent US8592431 (2013)


BindingDB Entry DOI: 10.7270/Q2H70DGX
More data for this
Ligand-Target Pair