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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Anionic trypsin-2' and Ligand = 'BDBM50123419'   
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
Anionic trypsin-2


(Rattus norvegicus)		BDBM50123419
PNG
(3-(5-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ox...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc(no3)-c3cccc(c3)C(N)=N)C(=O)COc2c1
Show InChI InChI=1S/C26H28N6O4/c1-16(27)31-9-7-19(8-10-31)35-20-5-6-23-24(13-20)34-15-25(33)32(23)14-21-12-22(30-36-21)17-3-2-4-18(11-17)26(28)29/h2-6,11-13,19,27H,7-10,14-15H2,1H3,(H3,28,29)
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PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin

Bioorg Med Chem Lett 13: 561-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DB816X
More data for this
Ligand-Target Pair