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BDBM341477 5-(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)-4-fluoro-N-methylthiophene-2-carboxamide::US9765092, Example 1.25.1

SMILES: CNC(=O)c1cc(F)c(s1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1

InChI Key: InChIKey=HLYCBFHDPYRKBY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341477   
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))
BDBM341477
PNG
(5-(6-(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)ac...)
Show SMILES CNC(=O)c1cc(F)c(s1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C25H25ClFN7O4S2/c1-13-31-34-20-15(29-25(34)39-13)5-6-33(21(20)22-14(27)11-17(40-22)24(36)28-2)19(35)12-38-16-3-4-18(30-23(16)26)32-7-9-37-10-8-32/h3-4,11,21H,5-10,12H2,1-2H3,(H,28,36)
PDB
MMDB

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PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair