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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50085360'   
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


(Sus scrofa)
BDBM50085360
PNG
(CHEMBL302387 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C17H16ClNO2/c18-12-16(20)15(11-13-7-3-1-4-8-13)19-17(21)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.40E+5n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic trypsin (TRP)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair