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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 = 'BDBM50167399'   
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))
BDBM50167399
PNG
(CHEMBL3800151)
Show SMILES Cc1ccccc1Oc1cccc(N2CCCCC2)c1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C30H35N5O4/c1-20-8-3-4-10-26(20)39-27-11-7-9-25(35-16-5-2-6-17-35)23(27)19-33-30(32)34-28(36)22-14-12-21(13-15-22)18-24(31)29(37)38/h3-4,7-15,24H,2,5-6,16-19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t24-/m0/s1
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Article
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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