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BDBM50152206 CHEMBL187587::N-(3-Aminomethyl-phenyl)-2-{5-chloro-3-[2-(1H-imidazol-4-yl)-ethylamino]-6-methyl-2-oxo-2H-pyrazin-1-yl}-acetamide; TFA

SMILES: Cc1c(Cl)nc(NCCc2cnc[nH]2)c(=O)n1CC(=O)Nc1cccc(CN)c1

InChI Key: InChIKey=HUWOFZSGRCUYFE-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50152206   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptase


(Homo sapiens (Human))
BDBM50152206
PNG
(CHEMBL187587 | N-(3-Aminomethyl-phenyl)-2-{5-chlor...)
Show SMILES Cc1c(Cl)nc(NCCc2cnc[nH]2)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C19H22ClN7O2/c1-12-17(20)26-18(23-6-5-15-9-22-11-24-15)19(29)27(12)10-16(28)25-14-4-2-3-13(7-14)8-21/h2-4,7,9,11H,5-6,8,10,21H2,1H3,(H,22,24)(H,23,26)(H,25,28)
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Similars

Article
PubMed
426n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair