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BDBM50339509 (+/-)-6-Ethyl-6-[4-[(4-iodophenylthio)methyl]phenyl]-6,7-dihydrobenzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-one::CHEMBL1687952

SMILES: CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(I)cc2)cc1

InChI Key: InChIKey=IUANMZAYJBTVFC-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50339509   
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
Adenosine kinase


(Homo sapiens (Human))
BDBM50339509
PNG
((+/-)-6-Ethyl-6-[4-[(4-iodophenylthio)methyl]pheny...)
Show SMILES CCC1(Sc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(I)cc2)cc1
Show InChI InChI=1/C27H22INOS2/c1-2-27(20-11-9-19(10-12-20)18-31-22-15-13-21(28)14-16-22)26(30)24-7-5-17-29(24)23-6-3-4-8-25(23)32-27/h3-17H,2,18H2,1H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Universita` di Siena

Curated by ChEMBL


Assay Description
Inhibition of human adenosine kinase


J Med Chem 54: 1401-20 (2011)


Article DOI: 10.1021/jm101438u
BindingDB Entry DOI: 10.7270/Q2XD120B
More data for this
Ligand-Target Pair