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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 = 'BDBM341618'   
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))
BDBM341618
PNG
(2-(2-chloro-4-(morpholinomethyl)phenoxy)-1-(5-(3,4...)
Show SMILES COc1ccc(cc1OC)C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(CN2CCOCC2)cc1Cl
Show InChI InChI=1/C29H31ClN4O5S/c1-36-24-6-4-20(16-25(24)37-2)27-28-22(31-29-34(28)11-14-40-29)7-8-33(27)26(35)18-39-23-5-3-19(15-21(23)30)17-32-9-12-38-13-10-32/h3-6,11,14-16,27H,7-10,12-13,17-18H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Article
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)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair