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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptophan 5-hydroxylase 1' and Ligand = 'BDBM50167801'   
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-hydroxylase 1


(Homo sapiens (Human))
BDBM50167801
PNG
(CHEMBL3799259)
Show SMILES Cc1cccc(N2CCCCCC2)c1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H33N5O3/c1-17-7-6-8-22(30-13-4-2-3-5-14-30)20(17)16-28-25(27)29-23(31)19-11-9-18(10-12-19)15-21(26)24(32)33/h6-12,21H,2-5,13-16,26H2,1H3,(H,32,33)(H3,27,28,29,31)/t21-/m0/s1
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Article
PubMed
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Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair