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BDBM273016 (R)-2-{1-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrrolidin-2-yl}-5-ethyl-6-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one::US10065972, Example 14

SMILES: CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)CN1CCCc2ccccc12

InChI Key: InChIKey=HVUXZPMEDXPPBM-QGZVFWFLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 273016   
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))
BDBM273016
PNG
((R)-2-{1-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]p...)
Show SMILES CCc1nc2sc(nc2c(=O)n1C)[C@H]1CCCN1C(=O)CN1CCCc2ccccc12
Show InChI InChI=1S/C23H27N5O2S/c1-3-18-24-22-20(23(30)26(18)2)25-21(31-22)17-11-7-13-28(17)19(29)14-27-12-6-9-15-8-4-5-10-16(15)27/h4-5,8,10,17H,3,6-7,9,11-14H2,1-2H3/t17-/m1/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
n/an/a 57n/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