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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50158154'   
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))		BDBM50158154
PNG
(CHEMBL3781784)
Show SMILES NC(=N)c1cccc(c1)N1CC(O)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C24H31N5O2/c25-23(26)20-7-4-8-21(13-20)29-17-22(30)16-28(24(29)31)15-19-9-11-27(12-10-19)14-18-5-2-1-3-6-18/h1-8,13,19,22,30H,9-12,14-17H2,(H3,25,26)
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KEGG

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PC sid
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Similars
Article
PubMed
 390n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis

ACS Med Chem Lett 7: 177-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00357
BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair