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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 = 'BDBM50145671'   
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))
BDBM50145671
PNG
(CHEMBL3764568)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CC2(C1)CNC(C2)C(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C23H23ClF3N7O3/c1-12-4-5-34(32-12)16-6-13(24)2-3-14(16)19(23(25,26)27)37-18-7-17(30-21(28)31-18)33-10-22(11-33)8-15(20(35)36)29-9-22/h2-7,15,19,29H,8-11H2,1H3,(H,35,36)(H2,28,30,31)/t15?,19-/m1/s1
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Article
PubMed
n/an/a 2.00E+4n/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