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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 = 'BDBM50145666'   
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))
BDBM50145666
PNG
(CHEMBL3764358)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CC2CC(C1)N2C[C@H](N)C(O)=O)C(F)(F)F |r,THB:29:28:22.23.27:25|
Show InChI InChI=1S/C24H26ClF3N8O3/c1-12-4-5-36(33-12)18-6-13(25)2-3-16(18)21(24(26,27)28)39-20-8-19(31-23(30)32-20)34-9-14-7-15(10-34)35(14)11-17(29)22(37)38/h2-6,8,14-15,17,21H,7,9-11,29H2,1H3,(H,37,38)(H2,30,31,32)/t14?,15?,17-,21+/m0/s1
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MMDB

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Article
PubMed
n/an/a 6.22E+3n/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