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BDBM357752 KM-05-126/(I-12)::US10214530, Example 12

SMILES: Fc1ccc2nc(Cc3nc4n(C5CC5)c(=O)[nH]c(=O)c4n3Cc3ccccc3)[nH]c2c1

InChI Key: InChIKey=HLFAVWDNJHBPGF-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 357752   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM357752
PNG
(KM-05-126/(I-12) | US10214530, Example 12)
Show SMILES Fc1ccc2nc(Cc3nc4n(C5CC5)c(=O)[nH]c(=O)c4n3Cc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C23H19FN6O2/c24-14-6-9-16-17(10-14)26-18(25-16)11-19-27-21-20(29(19)12-13-4-2-1-3-5-13)22(31)28-23(32)30(21)15-7-8-15/h1-6,9-10,15H,7-8,11-12H2,(H,25,26)(H,28,31,32)
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PC cid
PC sid
UniChem
US Patent
n/an/a 230n/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
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM357752
PNG
(KM-05-126/(I-12) | US10214530, Example 12)
Show SMILES Fc1ccc2nc(Cc3nc4n(C5CC5)c(=O)[nH]c(=O)c4n3Cc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C23H19FN6O2/c24-14-6-9-16-17(10-14)26-18(25-16)11-19-27-21-20(29(19)12-13-4-2-1-3-5-13)22(31)28-23(32)30(21)15-7-8-15/h1-6,9-10,15H,7-8,11-12H2,(H,25,26)(H,28,31,32)
PDB
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B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+3n/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