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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 = 'BDBM357750'   
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))
BDBM357750
PNG
(KM-05-135/(I-15) | US10214530, Example 15)
Show SMILES OCCOc1ccc2nc(Cc3nc4n(C5CC5)c(=O)[nH]c(=O)c4n3Cc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C25H24N6O4/c32-10-11-35-17-8-9-18-19(12-17)27-20(26-18)13-21-28-23-22(30(21)14-15-4-2-1-3-5-15)24(33)29-25(34)31(23)16-6-7-16/h1-5,8-9,12,16,32H,6-7,10-11,13-14H2,(H,26,27)(H,29,33,34)
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PC cid
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Article
PubMed
n/an/a 140n/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))
BDBM357750
PNG
(KM-05-135/(I-15) | US10214530, Example 15)
Show SMILES OCCOc1ccc2nc(Cc3nc4n(C5CC5)c(=O)[nH]c(=O)c4n3Cc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C25H24N6O4/c32-10-11-35-17-8-9-18-19(12-17)27-20(26-18)13-21-28-23-22(30(21)14-15-4-2-1-3-5-15)24(33)29-25(34)31(23)16-6-7-16/h1-5,8-9,12,16,32H,6-7,10-11,13-14H2,(H,26,27)(H,29,33,34)
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US Patent
n/an/a 140n/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