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BDBM341333 1-(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-(2-chloro-4-morpholinophenoxy)ethanone::US9765092, Example 1.4.3

SMILES: Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(cc1Cl)N1CCOCC1)c1ccc(Cl)cc1F

InChI Key: InChIKey=ADJMZANHOAZVCE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341333   
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))
BDBM341333
PNG
(1-(5-(4-chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(cc1Cl)N1CCOCC1)c1ccc(Cl)cc1F
Show InChI InChI=1S/C26H24Cl2FN5O3S/c1-15-31-34-25-21(30-26(34)38-15)6-7-33(24(25)18-4-2-16(27)12-20(18)29)23(35)14-37-22-5-3-17(13-19(22)28)32-8-10-36-11-9-32/h2-5,12-13,24H,6-11,14H2,1H3
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PC cid
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Article
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)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair