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BDBM341419 2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-7,8-dihydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)ethanone::US9765092, Example 1.11.3

SMILES: Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1nc(no1)-c1ccccc1

InChI Key: InChIKey=LLXASGWTEMDLFA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341419   
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))
BDBM341419
PNG
(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)-1-(2-me...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C27H25ClN8O4S/c1-16-32-36-22-18(29-27(36)41-16)9-10-35(23(22)26-31-25(33-40-26)17-5-3-2-4-6-17)21(37)15-39-19-7-8-20(30-24(19)28)34-11-13-38-14-12-34/h2-8,23H,9-15H2,1H3
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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
BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair