BDBM87391 2-[(4-acetoxy-3-methoxy-benzoyl)amino]-5-hydroxy-benzoic acid::2-[(4-acetyloxy-3-methoxy-phenyl)carbonylamino]-5-oxidanyl-benzoic acid::2-[(4-acetyloxy-3-methoxybenzoyl)amino]-5-hydroxybenzoic acid::2-[[(4-acetyloxy-3-methoxyphenyl)-oxomethyl]amino]-5-hydroxybenzoic acid::MLS000036604::SMR000036612::cid_666497

SMILES: COc1cc(ccc1OC(C)=O)C(=O)Nc1ccc(O)cc1C(O)=O

InChI Key: InChIKey=CPZAYBBKCUHCEH-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 = 87391   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM87391 (2-[(4-acetoxy-3-methoxy-benzoyl)amino]-5-hydroxy-b...) Show SMILES COc1cc(ccc1OC(C)=O)C(=O)Nc1ccc(O)cc1C(O)=O Show InChI InChI=1S/C17H15NO7/c1-9(19)25-14-6-3-10(7-15(14)24-2)16(21)18-13-5-4-11(20)8-12(13)17(22)23/h3-8,20H,1-2H3,(H,18,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	659	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 (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair