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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 = 'BDBM50145672'   
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))
BDBM50145672
PNG
(CHEMBL3763889)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(C)n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C26H28ClF3N6O3/c1-15-5-8-36(34-15)20-11-17(27)3-4-18(20)23(26(28,29)30)39-22-12-21(32-16(2)33-22)35-9-6-25(7-10-35)13-19(24(37)38)31-14-25/h3-5,8,11-12,19,23,31H,6-7,9-10,13-14H2,1-2H3,(H,37,38)/t19?,23-/m1/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: 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