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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50149096'   
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


(Homo sapiens (Human))
BDBM50149096
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)N3CCCCC3=O)cc2[nH]1
Show InChI InChI=1S/C24H21ClN4O2S/c25-21-11-10-20(32-21)24-27-18-9-4-15(13-19(18)28-24)14-22(30)26-16-5-7-17(8-6-16)29-12-2-1-3-23(29)31/h4-11,13H,1-3,12,14H2,(H,26,30)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair