BDBM466253 US10793582, Example 67

SMILES: CCNc1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F

InChI Key: InChIKey=XPDAHNRGHYNRCG-CYBMUJFWSA-N

Data: 1 IC50

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 = 466253   

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))	BDBM466253 (US10793582, Example 67) Show SMILES CCNc1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N6OS/c1-2-24-15-14-16(27-18(26-15)20(21,22)23)28-19(31-14)29-10-6-9-13(29)17(30)25-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,25,30)(H,24,26,27)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020)
					More data for this Ligand-Target Pair