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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 = 'BDBM341524'   
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))
BDBM341524
PNG
(1-(5-(5-chloro-3-fluoropyridin-2-yl)-2-methyl-7,8-...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CC(F)(F)C1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C23H18Cl2F3N7O2S/c1-11-32-35-19-14(30-22(35)38-11)4-5-34(20(19)18-13(26)6-12(24)7-29-18)17(36)8-37-15-2-3-16(31-21(15)25)33-9-23(27,28)10-33/h2-3,6-7,20H,4-5,8-10H2,1H3
PDB
MMDB

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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)

More data for this
Ligand-Target Pair