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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 = 'BDBM341654'   
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))
BDBM341654
PNG
(2-(4-chloro-2-methylphenoxy)-1-(5-(2-fluoro-4-meth...)
Show SMILES Cc1ccc(C2N(CCc3nc4sccn4c23)C(=O)COc2ccc(Cl)cc2C)c(F)c1
Show InChI InChI=1/C24H21ClFN3O2S/c1-14-3-5-17(18(26)11-14)22-23-19(27-24-29(23)9-10-32-24)7-8-28(22)21(30)13-31-20-6-4-16(25)12-15(20)2/h3-6,9-12,22H,7-8,13H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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