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BDBM341387 1-(5-(4-cyclopropyl-2-fluorophenyl)-2-methyl-7,8-dihydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)-2-((2-(trifluoromethyl)pyridin-3-yl)oxy)ethanone::US9765092, Example 1.6.13

SMILES: Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1cccnc1C(F)(F)F)c1ccc(cc1F)C1CC1

InChI Key: InChIKey=IKCWXLWGIDOSTA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341387   
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))
BDBM341387
PNG
(1-(5-(4-cyclopropyl-2-fluorophenyl)-2-methyl-7,8-d...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1cccnc1C(F)(F)F)c1ccc(cc1F)C1CC1
Show InChI InChI=1S/C25H21F4N5O2S/c1-13-32-34-22-18(31-24(34)37-13)8-10-33(21(22)16-7-6-15(11-17(16)26)14-4-5-14)20(35)12-36-19-3-2-9-30-23(19)25(27,28)29/h2-3,6-7,9,11,14,21H,4-5,8,10,12H2,1H3
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PC cid
PC sid
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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