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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50085350'   
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)		BDBM50085350
PNG
(CHEMBL60245 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1OC
Show InChI InChI=1S/C21H24ClNO4/c1-26-19-10-8-16(13-20(19)27-2)9-11-21(25)23-17(18(24)14-22)12-15-6-4-3-5-7-15/h3-8,10,13,17H,9,11-12,14H2,1-2H3,(H,23,25)/t17-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+6n/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