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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 = 'BDBM50145639'   
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))
BDBM50145639
PNG
(CHEMBL3764448)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CC2CCC(C1)C2NCC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H27ClF3N7O3/c1-13-6-7-36(34-13)18-8-16(26)4-5-17(18)23(25(27,28)29)39-20-9-19(32-24(30)33-20)35-11-14-2-3-15(12-35)22(14)31-10-21(37)38/h4-9,14-15,22-23,31H,2-3,10-12H2,1H3,(H,37,38)(H2,30,32,33)/t14?,15?,22?,23-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 361n/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