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BDBM85591 AANAT Inhibitor, 8i

SMILES: CCc1ccc2scc(CCNC(=O)CBr)c2c1

InChI Key: InChIKey=JMLGKHJYLQCTRB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 85591   
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
Serotonin N-acetyltransferase (AANAT)


(Homo sapiens (Human))
BDBM85591
PNG
(AANAT Inhibitor, 8i)
Show SMILES CCc1ccc2scc(CCNC(=O)CBr)c2c1
Show InChI InChI=1S/C14H16BrNOS/c1-2-10-3-4-13-12(7-10)11(9-18-13)5-6-16-14(17)8-15/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 700n/an/an/an/a6.837



Université de Lille



Assay Description
The compounds were evaluated in a human serotonin N-acetyltransferase assay.


J Enzyme Inhib Med Chem 17: 409-14 (2002)


Article DOI: 10.1080/1475636021000005721
BindingDB Entry DOI: 10.7270/Q2610XWN
More data for this
Ligand-Target Pair