BDBM50476979 DEMETHYLOXY-AAPTAMINE::Demethyloxyaaptamine::Demthyloxyaaptamine

SMILES: COC1=Cc2ccnc3ccnc(C1=O)c23

InChI Key: InChIKey=GANPHKNZVLUMPJ-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 = 50476979   

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
Sortase A (SrtA) (Staphylococcus aureus)	BDBM50476979 (DEMETHYLOXY-AAPTAMINE | Demethyloxyaaptamine | Dem...) Show SMILES COC1=Cc2ccnc3ccnc(C1=O)c23 |t:2| Show InChI InChI=1S/C12H8N2O2/c1-16-9-6-7-2-4-13-8-3-5-14-11(10(7)8)12(9)15/h2-6H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair