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BDBM341714 1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)-2-((2-chloro-6-(3,3-difluoroazetidin-1-yl)-pyridin-3-yl)oxy)ethanone::US9765092, Example 1.4.18

SMILES: Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CC(F)(F)C1)c1ccc(Cl)cc1F

InChI Key: InChIKey=HLQFFVHNFHFOGC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341714   
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))
BDBM341714
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CC(F)(F)C1)c1ccc(Cl)cc1F
Show InChI InChI=1S/C24H19Cl2F3N6O2S/c1-12-32-35-21-16(30-23(35)38-12)6-7-34(20(21)14-3-2-13(25)8-15(14)27)19(36)9-37-17-4-5-18(31-22(17)26)33-10-24(28,29)11-33/h2-5,8,20H,6-7,9-11H2,1H3
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PC cid
PC sid
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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