BDBM50122014 CHEMBL3617324

SMILES: OC(=O)c1cncc(c1)-c1ccccc1

InChI Key: InChIKey=VKFXHYRIHRTEIV-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 3 PDB IDs match 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 = 50122014   

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
D-Aspartate Oxidase (DDO) (Homo sapiens (Human))	BDBM50122014 (CHEMBL3617324) Show SMILES OC(=O)c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C12H9NO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ...				J Med Chem 58: 7328-40 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair