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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 = 'BDBM50234206'   
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))
BDBM50234206
PNG
(CHEMBL4060885)
Show SMILES CSc1ccc2cc(ccc2n1)-c1ccc(cc1)[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C31H31F3N6O3S/c1-44-26-9-7-21-14-20(6-8-22(21)37-26)18-2-4-19(5-3-18)27(31(32,33)34)43-25-15-24(38-29(35)39-25)40-12-10-30(11-13-40)16-23(28(41)42)36-17-30/h2-9,14-15,23,27,36H,10-13,16-17H2,1H3,(H,41,42)(H2,35,38,39)/t23-,27+/m0/s1
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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair