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BDBM341757 2-(6-(2-((2-Chloro-6-morpholinopyridin-3-yl)oxy)acetyl)-2-methyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-5-yl)-N-methylthiazole-4-carboxamide::US9765092, Example 1.44.2

SMILES: CNC(=O)c1csc(n1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1

InChI Key: InChIKey=JEXMYMFGUVIURE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341757   
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))
BDBM341757
PNG
(2-(6-(2-((2-Chloro-6-morpholinopyridin-3-yl)oxy)ac...)
Show SMILES CNC(=O)c1csc(n1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C24H25ClN8O4S2/c1-13-30-33-19-14(28-24(33)39-13)5-6-32(20(19)23-27-15(12-38-23)22(35)26-2)18(34)11-37-16-3-4-17(29-21(16)25)31-7-9-36-10-8-31/h3-4,12,20H,5-11H2,1-2H3,(H,26,35)
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MMDB

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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