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BDBM341342 6-chloro-5-(2-(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-oxoethoxy)-N-methylpicolinamide::US9765092, Example 1.4.21

SMILES: CNC(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1

InChI Key: InChIKey=UPALPJBPLFQZNB-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341342   
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))
BDBM341342
PNG
(6-chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-2-methy...)
Show SMILES CNC(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1/C23H19Cl2FN6O3S/c1-11-30-32-20-15(29-23(32)36-11)7-8-31(19(20)13-4-3-12(24)9-14(13)26)18(33)10-35-17-6-5-16(22(34)27-2)28-21(17)25/h3-6,9,19H,7-8,10H2,1-2H3,(H,27,34)
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PC cid
PC sid
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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
BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair