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BDBM273084 (R)-N-benzyl-1-(6-cyclopentyl-7-oxo-6,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide::US10065972, Example 238

SMILES: O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2c(ncn(C3CCCC3)c2=O)s1

InChI Key: InChIKey=KHZUIXRRCCNRHG-QGZVFWFLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 273084   
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))
BDBM273084
PNG
((R)-N-benzyl-1-(6-cyclopentyl-7-oxo-6,7-dihydro-[1...)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2c(ncn(C3CCCC3)c2=O)s1
Show InChI InChI=1S/C22H25N5O2S/c28-19(23-13-15-7-2-1-3-8-15)17-11-6-12-26(17)22-25-18-20(30-22)24-14-27(21(18)29)16-9-4-5-10-16/h1-3,7-8,14,16-17H,4-6,9-13H2,(H,23,28)/t17-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/a 16n/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