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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 = 'BDBM50145647'   
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))
BDBM50145647
PNG
(CHEMBL3764524)
Show SMILES CN1CC2(C[C@H]1C(O)=O)CCN(CC2)c1cc(O[C@H](c2ccc(Cl)cc2-n2ccc(C)n2)C(F)(F)F)nc(N)n1 |r|
Show InChI InChI=1S/C26H29ClF3N7O3/c1-15-5-8-37(34-15)18-11-16(27)3-4-17(18)22(26(28,29)30)40-21-12-20(32-24(31)33-21)36-9-6-25(7-10-36)13-19(23(38)39)35(2)14-25/h3-5,8,11-12,19,22H,6-7,9-10,13-14H2,1-2H3,(H,38,39)(H2,31,32,33)/t19-,22+/m0/s1
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Article
PubMed
n/an/a 871n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.064
BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair