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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptophan 5-monooxygenase 1' and Ligand = 'BDBM341431'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341431
PNG
(2-((2-chloro-5-fluoro-6-morpholinopyridin-3-yl)oxy...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1cc(F)c(nc1Cl)N1CCOCC1)c1ncc(cc1F)C1CC1
Show InChI InChI=1S/C27H26ClF2N7O3S/c1-14-34-37-23-19(32-27(37)41-14)4-5-36(24(23)22-17(29)10-16(12-31-22)15-2-3-15)21(38)13-40-20-11-18(30)26(33-25(20)28)35-6-8-39-9-7-35/h10-12,15,24H,2-9,13H2,1H3
PDB
MMDB

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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