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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tryptophan 5-hydroxylase 2' and Ligand = 'BDBM357736'   
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 2


(Homo sapiens (Human))
BDBM357736
PNG
(MW-01-157/(I-207) | US10214530, Example 25)
Show SMILES CCCn1c2nc(Cc3nc4ccccc4[nH]3)n(Cc3ccccc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C23H22N6O2/c1-2-12-28-21-20(22(30)27-23(28)31)29(14-15-8-4-3-5-9-15)19(26-21)13-18-24-16-10-6-7-11-17(16)25-18/h3-11H,2,12-14H2,1H3,(H,24,25)(H,27,30,31)
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PC cid
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UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00598
BindingDB Entry DOI: 10.7270/Q2G164VF
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM357736
PNG
(MW-01-157/(I-207) | US10214530, Example 25)
Show SMILES CCCn1c2nc(Cc3nc4ccccc4[nH]3)n(Cc3ccccc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C23H22N6O2/c1-2-12-28-21-20(22(30)27-23(28)31)29(14-15-8-4-3-5-9-15)19(26-21)13-18-24-16-10-6-7-11-17(16)25-18/h3-11H,2,12-14H2,1H3,(H,24,25)(H,27,30,31)
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US Patent
n/an/a 20n/an/an/an/an/an/a



MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN

US Patent


Assay Description
These compounds according to the afore-mentioned examples were tested for tryptophan hydroxylase (TPH) inhibitory activity in a fluorescence-based in...


US Patent US10214530 (2019)


BindingDB Entry DOI: 10.7270/Q25B04SK
More data for this
Ligand-Target Pair