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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50158160'   
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))		BDBM50158160
PNG
(CHEMBL3780584)
Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)
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KEGG

UniProtKB/SwissProt

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PC sid
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Similars
Article
PubMed
 780n/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