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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 = 'BDBM341327'   
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))
BDBM341327
PNG
(2-(2-chloro-4-(morpholinomethyl)phenoxy)-1-(5-(2-f...)
Show SMILES COc1ccc(C2N(CCc3nc4sc(C)nn4c23)C(=O)COc2ccc(CN3CCOCC3)cc2Cl)c(F)c1
Show InChI InChI=1S/C28H29ClFN5O4S/c1-17-32-35-27-23(31-28(35)40-17)7-8-34(26(27)20-5-4-19(37-2)14-22(20)30)25(36)16-39-24-6-3-18(13-21(24)29)15-33-9-11-38-12-10-33/h3-6,13-14,26H,7-12,15-16H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Article
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)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair