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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 = 'BDBM341648'   
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))
BDBM341648
PNG
(6-chloro-5-(2-(5-(3-fluorothiophen-2-yl)-7,8-dihyd...)
Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sccn4c3C2c2sccc2F)c(Cl)n1
Show InChI InChI=1S/C22H19ClFN5O3S2/c1-27(2)21(31)14-3-4-15(20(23)25-14)32-11-16(30)28-7-5-13-17(29-8-10-34-22(29)26-13)18(28)19-12(24)6-9-33-19/h3-4,6,8-10,18H,5,7,11H2,1-2H3
PDB
MMDB

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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)

More data for this
Ligand-Target Pair