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BDBM341725 2-((6-(2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)-2-chloropyridin-3-yl)oxy)-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)ethanone::US9765092, Example 1.4.33

SMILES: Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CC2CC1CO2)c1ccc(Cl)cc1F

InChI Key: InChIKey=LBAOSYYNUUCLFD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341725   
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))
BDBM341725
PNG
(2-((6-(2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)-2-chl...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CC2CC1CO2)c1ccc(Cl)cc1F
Show InChI InChI=1S/C26H23Cl2FN6O3S/c1-13-32-35-24-19(30-26(35)39-13)6-7-33(23(24)17-3-2-14(27)8-18(17)29)22(36)12-38-20-4-5-21(31-25(20)28)34-10-16-9-15(34)11-37-16/h2-5,8,15-16,23H,6-7,9-12H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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)

More data for this
Ligand-Target Pair