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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 = 'BDBM50123423'   
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)		BDBM50123423
PNG
(3-{3-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc(C)n(n1)-c1cccc(c1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C26H33N7O3S/c1-18-15-21(30-33(18)23-6-4-5-20(16-23)26(28)29)17-32(37(3,34)35)22-7-9-24(10-8-22)36-25-11-13-31(14-12-25)19(2)27/h4-10,15-16,25,27H,11-14,17H2,1-3H3,(H3,28,29)
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PubMed
n/an/a 2.11E+3n/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