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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tryptophan 5-hydroxylase 1' and Ligand = 'BDBM50243613'   
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))
BDBM50243613
PNG
((S)-2-Amino-3-(4-(4-amino-6-((naphthalene-2-ylmeth...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc3ccccc3c2)n1)C(O)=O |r|
Show InChI InChI=1S/C23H22N6O2/c24-19(21(30)31)12-14-5-9-17(10-6-14)20-27-22(25)29-23(28-20)26-13-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,24H2,(H,30,31)(H3,25,26,27,28,29)/t19-/m0/s1
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PC cid
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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243613
PNG
((S)-2-Amino-3-(4-(4-amino-6-((naphthalene-2-ylmeth...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc3ccccc3c2)n1)C(O)=O |r|
Show InChI InChI=1S/C23H22N6O2/c24-19(21(30)31)12-14-5-9-17(10-6-14)20-27-22(25)29-23(28-20)26-13-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,24H2,(H,30,31)(H3,25,26,27,28,29)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair