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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 = 'BDBM341636'   
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))
BDBM341636
PNG
(1-(5-(4-chloro-2-fluorophenyl)-7,8-dihydrothiazolo...)
Show SMILES Fc1cc(Cl)ccc1C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C25H22Cl2FN5O3S/c26-15-1-2-16(17(28)13-15)22-23-18(29-25-33(23)9-12-37-25)5-6-32(22)21(34)14-36-19-3-4-20(30-24(19)27)31-7-10-35-11-8-31/h1-4,9,12-13,22H,5-8,10-11,14H2
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