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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 = 'BDBM341476'   
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))
BDBM341476
PNG
((R)-6-chloro-5-(2-(5-(5-(dimethylcarbamoyl)-3-fluo...)
Show SMILES CN(C)C(=O)c1cc(F)c(s1)[C@@H]1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)C(=O)N(C)C
Show InChI InChI=1S/C25H25ClFN7O4S2/c1-12-30-34-19-14(29-25(34)39-12)8-9-33(20(19)21-13(27)10-17(40-21)24(37)32(4)5)18(35)11-38-16-7-6-15(28-22(16)26)23(36)31(2)3/h6-7,10,20H,8-9,11H2,1-5H3/t20-/m1/s1
PDB
MMDB

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PC cid
PC sid
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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
BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair