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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50228717'   
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
Serine protease 1


(Homo sapiens (Human))		BDBM50228717
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES [#6]-n1ccnc1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@H]-2-[#6]-[#7](-[#6]-[#6](=O)-[#7]-1-2)-[#6](=O)-[#6]-[#6]-c1ccccc1
Show InChI InChI=1S/C27H36N8O4/c1-33-15-14-30-25(33)24(38)20(8-5-13-31-27(28)29)32-26(39)21-11-10-19-16-34(17-23(37)35(19)21)22(36)12-9-18-6-3-2-4-7-18/h2-4,6-7,14-15,19-21H,5,8-13,16-17H2,1H3,(H,32,39)(H4,28,29,31)/t19-,20-,21-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.74E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin

Bioorg Med Chem Lett 9: 835-40 (1999)


BindingDB Entry DOI: 10.7270/Q25Q4V8V
More data for this
Ligand-Target Pair