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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-1' and Ligand = 'BDBM50090592'   
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))
BDBM50090592
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-14-2-1-13-7-19(30-16(13)8-14)31(28,29)25-6-5-24(18(27)11-25)10-17(26)22-4-3-15-9-21-12-23-15/h1-2,7-9,12H,3-6,10-11H2,(H,21,23)(H,22,26)
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PC cid
PC sid
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Patents

PubMed
>2.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against trypsin


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair