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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 = 'BDBM341399'   
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))
BDBM341399
PNG
(6-chloro-5-(2-(5-(4-cyclopropyl-2-fluorophenyl)-2-...)
Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(cc2F)C2CC2)c(Cl)n1
Show InChI InChI=1S/C27H26ClFN6O3S/c1-14-32-35-24-19(31-27(35)39-14)10-11-34(23(24)17-7-6-16(12-18(17)29)15-4-5-15)22(36)13-38-21-9-8-20(30-25(21)28)26(37)33(2)3/h6-9,12,15,23H,4-5,10-11,13H2,1-3H3
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