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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50189311'   
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))		BDBM50189311
PNG
(4,4''-(1,2-Phenylenebis(Methylene))Bis(Oxy)Dibenzi...)
Show SMILES NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)15-5-9-19(10-6-15)27-13-17-3-1-2-4-18(17)14-28-20-11-7-16(8-12-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 221n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis

Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair