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BDBM341638 N-(6-chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-7,8-dihydrothiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)-2-oxoethoxy)pyridin-2-yl)methanesulfonamide::US9765092, Example 6.4.8

SMILES: CS(=O)(=O)Nc1ccc(OCC(=O)N2CCc3nc4sccn4c3C2c2ccc(Cl)cc2F)c(Cl)n1

InChI Key: InChIKey=DJWVGOSOHNCYEE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341638   
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))
BDBM341638
PNG
(N-(6-chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-7,8-...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(=O)N2CCc3nc4sccn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C22H18Cl2FN5O4S2/c1-36(32,33)28-17-5-4-16(21(24)27-17)34-11-18(31)29-7-6-15-20(30-8-9-35-22(30)26-15)19(29)13-3-2-12(23)10-14(13)25/h2-5,8-10,19H,6-7,11H2,1H3,(H,27,28)
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PC cid
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Article
US Patent
n/an/a 3n/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