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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 = 'BDBM341715'   
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))
BDBM341715
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES C[C@H]1C[C@H](C)CN(C1)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C28H29Cl2FN6O2S/c1-15-10-16(2)13-35(12-15)23-7-6-22(27(30)33-23)39-14-24(38)36-9-8-21-26(37-28(32-21)40-17(3)34-37)25(36)19-5-4-18(29)11-20(19)31/h4-7,11,15-16,25H,8-10,12-14H2,1-3H3/t15-,16-,25?/m0/s1
PDB
MMDB

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US Patent
n/an/a 3n/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