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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 = 'BDBM341629'   
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))
BDBM341629
PNG
(1-(5-(2-fluoro-4-methoxyphenyl)-7,8-dihydrothiazol...)
Show SMILES COc1ccc(C2N(CCc3nc4sccn4c23)C(=O)COc2ccc3ccncc3c2)c(F)c1
Show InChI InChI=1S/C26H21FN4O3S/c1-33-18-4-5-20(21(27)13-18)24-25-22(29-26-31(25)10-11-35-26)7-9-30(24)23(32)15-34-19-3-2-16-6-8-28-14-17(16)12-19/h2-6,8,10-14,24H,7,9,15H2,1H3
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PC cid
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Article
US Patent
n/an/a 4n/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
BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair