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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 = 'BDBM341709'   
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))
BDBM341709
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES CN(CCO)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C24H23Cl2FN6O3S/c1-13-30-33-22-17(28-24(33)37-13)7-8-32(21(22)15-4-3-14(25)11-16(15)27)20(35)12-36-18-5-6-19(29-23(18)26)31(2)9-10-34/h3-6,11,21,34H,7-10,12H2,1-2H3
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