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BDBM341557 2-((2-chloro-6-(1,1-dioxidoisothiazolidin-2-yl)pyridin-3-yl)oxy)-1-(5-(2,3-difluoro-4-methylphenyl)-2-methyl-7,8-dihydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)ethanone::US9765092, Example 1.61.3

SMILES: Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCCS1(=O)=O)c1ccc(C)c(F)c1F

InChI Key: InChIKey=QYVUDQAOYCYFRA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341557   
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))
BDBM341557
PNG
(2-((2-chloro-6-(1,1-dioxidoisothiazolidin-2-yl)pyr...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCCS1(=O)=O)c1ccc(C)c(F)c1F
Show InChI InChI=1S/C25H23ClF2N6O4S2/c1-13-4-5-15(21(28)20(13)27)22-23-16(29-25-34(23)31-14(2)39-25)8-10-32(22)19(35)12-38-17-6-7-18(30-24(17)26)33-9-3-11-40(33,36)37/h4-7,22H,3,8-12H2,1-2H3
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