BDBM70488 (3Z)-3-[hydroxy(methoxy)methylene]isoquinoline-1,4-quinone::(3Z)-3-[hydroxy(methoxy)methylidene]isoquinoline-1,4-dione::(3Z)-3-[methoxy(oxidanyl)methylidene]isoquinoline-1,4-dione::MLS000549933::SMR000113373::cid_6093506::methyl 4-hydroxy-1-oxo-1,2-dihydro-3-isoquinolinecarboxylate

SMILES: COC(=O)c1[nH]c(=O)c2ccccc2c1O

InChI Key: InChIKey=JOURGLFWVLLAPY-UHFFFAOYSA-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 = 70488   

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
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM70488 ((3Z)-3-[hydroxy(methoxy)methylene]isoquinoline-1,4...) Show SMILES COC(=O)c1[nH]c(=O)c2ccccc2c1O Show InChI InChI=1S/C11H9NO4/c1-16-11(15)8-9(13)6-4-2-3-5-7(6)10(14)12-8/h2-5,13H,1H3,(H,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PK0DMQ
					More data for this Ligand-Target Pair