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BDBM341627 2-(2-chloro-4-(morpholinomethyl)phenoxy)-1-(5-(2-fluoro-4-methoxyphenyl)-7,8-dihydrothiazolo[2',3':2,3]-imidazo[4,5-c]pyridin-6(5H)-yl)ethanone::US9765092, Example 6.3.1

SMILES: COc1ccc(C2N(CCc3nc4sccn4c23)C(=O)COc2ccc(CN3CCOCC3)cc2Cl)c(F)c1

InChI Key: InChIKey=XWIFATDXUXNEPF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341627   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341627
PNG
(2-(2-chloro-4-(morpholinomethyl)phenoxy)-1-(5-(2-f...)
Show SMILES COc1ccc(C2N(CCc3nc4sccn4c23)C(=O)COc2ccc(CN3CCOCC3)cc2Cl)c(F)c1
Show InChI InChI=1S/C28H28ClFN4O4S/c1-36-19-3-4-20(22(30)15-19)26-27-23(31-28-34(27)10-13-39-28)6-7-33(26)25(35)17-38-24-5-2-18(14-21(24)29)16-32-8-11-37-12-9-32/h2-5,10,13-15,26H,6-9,11-12,16-17H2,1H3
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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
More data for this
Ligand-Target Pair