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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50434109'   
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
Chymase


(Homo sapiens (Human))
BDBM50434109
PNG
(CHEMBL2381483)
Show SMILES CCCC(CC(O)=O)n1c2ccccc2n(Cc2cc(Br)cc3NC(=O)Cc23)c1=O
Show InChI InChI=1S/C22H22BrN3O4/c1-2-5-15(10-21(28)29)26-19-7-4-3-6-18(19)25(22(26)30)12-13-8-14(23)9-17-16(13)11-20(27)24-17/h3-4,6-9,15H,2,5,10-12H2,1H3,(H,24,27)(H,28,29)
PDB
MMDB

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n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human chymase using bis(succinoyl-L-alanyl-L-prolyl-L-phenylalanylamide) as substrate after 1 hr by fluorescence assay


J Med Chem 56: 4465-81 (2013)


Article DOI: 10.1021/jm400138z
BindingDB Entry DOI: 10.7270/Q2C82BPN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)