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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 = 'BDBM341760'   
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))
BDBM341760
PNG
(2-(6-(2-((2-Chloro-6-morpholinopyridin-3-yl)oxy)ac...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCOCC1)c1nc(cs1)C(N)=O
Show InChI InChI=1S/C23H23ClN8O4S2/c1-12-29-32-18-13(27-23(32)38-12)4-5-31(19(18)22-26-14(11-37-22)21(25)34)17(33)10-36-15-2-3-16(28-20(15)24)30-6-8-35-9-7-30/h2-3,11,19H,4-10H2,1H3,(H2,25,34)
PDB
MMDB

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PC cid
PC sid
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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