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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 263.2
BDBM50361110

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Natural resistance-associated macrophage protein 2


(Homo sapiens (Human))
BDBM50361110
PNG
(CHEMBL1933787)
Show SMILES O=c1c-2c(CCc3ccccc-23)[nH]n1-c1ccccn1
Show InChI InChI=1S/C16H13N3O/c20-16-15-12-6-2-1-5-11(12)8-9-13(15)18-19(16)14-7-3-4-10-17-14/h1-7,10,18H,8-9H2
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Similars

Article
PubMed
n/an/a 830n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DMT1 expressed in CHO cells assessed as blockage of ferrous influx after 20 mins by calcein fluorescence quenching method


Bioorg Med Chem Lett 22: 90-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.069
BindingDB Entry DOI: 10.7270/Q2RJ4JX6
More data for this
Ligand-Target Pair