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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 382.4
BDBM50387718

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 1


(Homo sapiens (Human))
BDBM50387718
PNG
(CHEMBL2058624)
Show SMILES NC(=N)SCc1ccc(F)cc1Oc1ccc(F)cc1CSC(N)=N
Show InChI InChI=1S/C16H16F2N4OS2/c17-11-3-4-13(10(5-11)8-25-16(21)22)23-14-6-12(18)2-1-9(14)7-24-15(19)20/h1-6H,7-8H2,(H3,19,20)(H3,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of NRAMP1 expressed in CHO cells


Bioorg Med Chem Lett 22: 5108-13 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.129
BindingDB Entry DOI: 10.7270/Q2QN67TM
More data for this
Ligand-Target Pair