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BDBM273056 (R)-2-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)pyrrolidine-1-carboxylic acid phenyl ester::US10065972, Example 149

SMILES: O=C(Oc1ccccc1)N1CCC[C@@H]1c1nn2c(nc3CCCCc3c2=O)s1

InChI Key: InChIKey=GMVZUSYIMMRKSD-MRXNPFEDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 273056   
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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273056
PNG
((R)-2-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiaz...)
Show SMILES O=C(Oc1ccccc1)N1CCC[C@@H]1c1nn2c(nc3CCCCc3c2=O)s1
Show InChI InChI=1S/C20H20N4O3S/c25-18-14-9-4-5-10-15(14)21-19-24(18)22-17(28-19)16-11-6-12-23(16)20(26)27-13-7-2-1-3-8-13/h1-3,7-8,16H,4-6,9-12H2/t16-/m1/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
n/an/a 160n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)

More data for this
Ligand-Target Pair