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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 = 'BDBM50145640'   
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))
BDBM50145640
PNG
(CHEMBL3764208)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CC2CCC1CN2C[C@H](N)C(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H28ClF3N8O3/c1-13-6-7-37(34-13)19-8-14(26)2-5-17(19)22(25(27,28)29)40-21-9-20(32-24(31)33-21)36-11-15-3-4-16(36)10-35(15)12-18(30)23(38)39/h2,5-9,15-16,18,22H,3-4,10-12,30H2,1H3,(H,38,39)(H2,31,32,33)/t15?,16?,18-,22+/m0/s1
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Article
PubMed
n/an/a 449n/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