BDBM273091 (R)-N-benzyl-1-[6-methyl-7-oxo-5-(tetrahydro-2H-pyran-4-yl)-6,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide::US10065972, Example 259

SMILES: Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1CCOCC1

InChI Key: InChIKey=FYUIPOUZYCBCCU-QGZVFWFLSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 273091   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273091 ((R)-N-benzyl-1-[6-methyl-7-oxo-5-(tetrahydro-2H-py...) Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1CCOCC1 |r| Show InChI InChI=1S/C23H27N5O3S/c1-27-19(16-9-12-31-13-10-16)26-21-18(22(27)30)25-23(32-21)28-11-5-8-17(28)20(29)24-14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,24,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair				3D Structure (crystal)