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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50085338'   
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)		BDBM50085338
PNG
(CHEMBL291397 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES Cc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Show InChI InChI=1S/C20H22ClNO2/c1-15-6-5-9-17(12-15)10-11-20(24)22-18(19(23)14-21)13-16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3,(H,22,24)/t18-/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 2.90E+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