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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 = 'BDBM50145642'   
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))
BDBM50145642
PNG
(CHEMBL3764344)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CCNC(C2)C(O)=O)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C26H29ClF3N7O3/c1-15-4-9-37(35-15)19-12-16(27)2-3-17(19)22(26(28,29)30)40-21-13-20(33-24(31)34-21)36-10-6-25(7-11-36)5-8-32-18(14-25)23(38)39/h2-4,9,12-13,18,22,32H,5-8,10-11,14H2,1H3,(H,38,39)(H2,31,33,34)/t18?,22-/m1/s1
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Similars

Article
PubMed
n/an/a 949n/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