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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 = 'BDBM445690'   
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))
BDBM445690
PNG
(Ex. 26/KM-06-114/(I-26) | US10683309, Example 26 |...)
Show SMILES CCn1c2nc(Cc3cn4cc(C)sc4n3)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C21H19FN6O2S/c1-3-27-18-17(19(29)25-20(27)30)28(10-13-4-6-14(22)7-5-13)16(24-18)8-15-11-26-9-12(2)31-21(26)23-15/h4-7,9,11H,3,8,10H2,1-2H3,(H,25,29,30)
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PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V.

US Patent


Assay Description
The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...


US Patent US11028104 (2021)


BindingDB Entry DOI: 10.7270/Q2JM2DRC
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM445690
PNG
(Ex. 26/KM-06-114/(I-26) | US10683309, Example 26 |...)
Show SMILES CCn1c2nc(Cc3cn4cc(C)sc4n3)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C21H19FN6O2S/c1-3-27-18-17(19(29)25-20(27)30)28(10-13-4-6-14(22)7-5-13)16(24-18)8-15-11-26-9-12(2)31-21(26)23-15/h4-7,9,11H,3,8,10H2,1-2H3,(H,25,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V.

US Patent


Assay Description
The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...


US Patent US10683309 (2020)


BindingDB Entry DOI: 10.7270/Q2NG4TQ6
More data for this
Ligand-Target Pair