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BDBM50152201 CHEMBL187651::N-(3-Aminomethyl-phenyl)-2-[5-chloro-3-(4-methoxy-benzylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide; TFA

SMILES: COc1ccc(CNc2nc(Cl)c(C)n(CC(=O)Nc3cccc(CN)c3)c2=O)cc1

InChI Key: InChIKey=ANECGPPPUHXIPH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50152201   
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))
BDBM50152201
PNG
(CHEMBL187651 | N-(3-Aminomethyl-phenyl)-2-[5-chlor...)
Show SMILES COc1ccc(CNc2nc(Cl)c(C)n(CC(=O)Nc3cccc(CN)c3)c2=O)cc1
Show InChI InChI=1S/C22H24ClN5O3/c1-14-20(23)27-21(25-12-15-6-8-18(31-2)9-7-15)22(30)28(14)13-19(29)26-17-5-3-4-16(10-17)11-24/h3-10H,11-13,24H2,1-2H3,(H,25,27)(H,26,29)
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Similars

Article
PubMed
1.55E+3n/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