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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptophan 5-monooxygenase 1' and Ligand = 'BDBM341539'   
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
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341539
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(2-me...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1cncs1
Show InChI InChI=1S/C22H22ClN7O3S2/c1-13-27-30-19-14(25-22(30)35-13)4-5-29(20(19)16-10-24-12-34-16)18(31)11-33-15-2-3-17(26-21(15)23)28-6-8-32-9-7-28/h2-3,10,12,20H,4-9,11H2,1H3
PDB
MMDB

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Article
US Patent
n/an/a 5n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair