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BDBM341432 2-((2-chloro-6-(methyl(2,2,2-trifluoroethyl)amino)pyridin-3-yl)oxy)-1-(5-(5-cyclopropyl-3-fluoropyridin-2-yl)-2-methyl-7,8-dihydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)ethanone::US9765092, Example 1.14.10

SMILES: CN(CC(F)(F)F)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ncc(cc2F)C2CC2)c(Cl)n1

InChI Key: InChIKey=PKYTWNNMNMIUMN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341432   
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))
BDBM341432
PNG
(2-((2-chloro-6-(methyl(2,2,2-trifluoroethyl)amino)...)
Show SMILES CN(CC(F)(F)F)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ncc(cc2F)C2CC2)c(Cl)n1
Show InChI InChI=1S/C26H24ClF4N7O2S/c1-13-35-38-22-17(33-25(38)41-13)7-8-37(23(22)21-16(28)9-15(10-32-21)14-3-4-14)20(39)11-40-18-5-6-19(34-24(18)27)36(2)12-26(29,30)31/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair