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BDBM357745 KM-05-125/(I-13)::US10214530, Example 13

SMILES: COc1ccc2nc(Cc3nc4n(C5CC5)c(=O)[nH]c(=O)c4n3Cc3ccccc3)[nH]c2c1

InChI Key: InChIKey=FFSQYZANLRAXHZ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 357745   
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))
BDBM357745
PNG
(KM-05-125/(I-13) | US10214530, Example 13)
Show SMILES COc1ccc2nc(Cc3nc4n(C5CC5)c(=O)[nH]c(=O)c4n3Cc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C24H22N6O3/c1-33-16-9-10-17-18(11-16)26-19(25-17)12-20-27-22-21(29(20)13-14-5-3-2-4-6-14)23(31)28-24(32)30(22)15-7-8-15/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,25,26)(H,28,31,32)
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PC cid
PC sid
UniChem
US Patent
n/an/a 70n/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))
BDBM357745
PNG
(KM-05-125/(I-13) | US10214530, Example 13)
Show SMILES COc1ccc2nc(Cc3nc4n(C5CC5)c(=O)[nH]c(=O)c4n3Cc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C24H22N6O3/c1-33-16-9-10-17-18(11-16)26-19(25-17)12-20-27-22-21(29(20)13-14-5-3-2-4-6-14)23(31)28-24(32)30(22)15-7-8-15/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,25,26)(H,28,31,32)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 960n/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