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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 = 'BDBM50234201'   
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))
BDBM50234201
PNG
(CHEMBL4078797)
Show SMILES CC(C)(C)c1cccc(c1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C31H35ClF3N5O3/c1-29(2,3)19-6-4-5-18(13-19)22-14-20(32)7-8-21(22)26(31(33,34)35)43-25-15-24(38-28(36)39-25)40-11-9-30(10-12-40)16-23(27(41)42)37-17-30/h4-8,13-15,23,26,37H,9-12,16-17H2,1-3H3,(H,41,42)(H2,36,38,39)/t23-,26+/m0/s1
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Article
PubMed
n/an/a 23n/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