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BDBM341653 6-chloro-5-(2-(5-(5-(dimethylcarbamoyl)-3-fluoro-thiophen-2-yl)-7,8-dihydrothiazolo[2',3':2,3]imidazo-[4,5-c]pyridin-6(5H)-yl)-2-oxoethoxy)-N,N-dimethylpicolinamide::US9765092, Example 6.9.2

SMILES: CN(C)C(=O)c1cc(F)c(s1)C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(nc1Cl)C(=O)N(C)C

InChI Key: InChIKey=ISBRBYDNXKCVRY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341653   
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))
BDBM341653
PNG
(6-chloro-5-(2-(5-(5-(dimethylcarbamoyl)-3-fluoro-t...)
Show SMILES CN(C)C(=O)c1cc(F)c(s1)C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(nc1Cl)C(=O)N(C)C
Show InChI InChI=1S/C25H24ClFN6O4S2/c1-30(2)23(35)15-5-6-16(22(26)28-15)37-12-18(34)32-8-7-14-19(33-9-10-38-25(33)29-14)20(32)21-13(27)11-17(39-21)24(36)31(3)4/h5-6,9-11,20H,7-8,12H2,1-4H3
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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