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BDBM50212218 CHEMBL3974081

SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-])[C@@]1([H])NC(=O)N2

InChI Key: InChIKey=ZWFOOMQCYIGZBE-ZOBUZTSGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212218   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM50212218
PNG
(CHEMBL3974081)
Show SMILES [N-]=[N+]=NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C18H32N6O5S/c19-24-21-6-8-28-10-12-29-11-9-27-7-5-20-16(25)4-2-1-3-15-17-14(13-30-15)22-18(26)23-17/h14-15,17H,1-13H2,(H,20,25)(H2,22,23,26)/t14-,15-,17-/m0/s1
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Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive inhibition of HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by substrat...


ACS Med Chem Lett 8: 215-220 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00441
BindingDB Entry DOI: 10.7270/Q2V98B7S
More data for this
Ligand-Target Pair