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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 = 'BDBM50123420'   
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)		BDBM50123420
PNG
(7-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C26H31N5O3S/c1-18(27)30-13-11-25(12-14-30)34-24-9-7-23(8-10-24)31(35(2,32)33)17-19-3-4-20-5-6-21(26(28)29)16-22(20)15-19/h3-10,15-16,25,27H,11-14,17H2,1-2H3,(H3,28,29)
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PubMed
n/an/a 94n/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