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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 = 'BDBM341466'   
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))
BDBM341466
PNG
(5-(6-(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)ac...)
Show SMILES CN(C)C(=O)c1cc(F)c(s1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C26H27ClFN7O4S2/c1-14-31-35-21-16(29-26(35)40-14)6-7-34(22(21)23-15(28)12-18(41-23)25(37)32(2)3)20(36)13-39-17-4-5-19(30-24(17)27)33-8-10-38-11-9-33/h4-5,12,22H,6-11,13H2,1-3H3
PDB
MMDB

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Article
US Patent
n/an/a 2n/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