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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50158158'   
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))
BDBM50158158
PNG
(CHEMBL3780208)
Show SMILES NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1
Show InChI InChI=1/C31H37N5O2/c32-30(33)27-12-7-13-28(18-27)36-22-29(38-23-26-10-5-2-6-11-26)21-35(31(36)37)20-25-14-16-34(17-15-25)19-24-8-3-1-4-9-24/h1-13,18,25,29H,14-17,19-23H2,(H3,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
550n/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)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair