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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-1' and Ligand = 'BDBM50147090'   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50147090
PNG
(7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-...)
Show SMILES COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
Show InChI InChI=1S/C16H18N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-5,8,12H,6-7,9H2,1H3,(H3,17,18)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair