BDBM50356012 AAPTAMINE

SMILES: COc1cc2ccnc3cc[nH]c(c1OC)c23

InChI Key: InChIKey=IVXSXOFPZFVZTM-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50356012   

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
Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1 (Homo sapiens (Human))	BDBM50356012 (AAPTAMINE) Show SMILES COc1cc2ccnc3cc[nH]c(c1OC)c23 Show InChI InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of GFAT using N-acetylglucosamine 6-phosphate as substrate				Bioorg Med Chem Lett 21: 6264-9 (2011) Article DOI: 10.1016/j.bmcl.2011.09.009 BindingDB Entry DOI: 10.7270/Q21J9B6P
					More data for this Ligand-Target Pair
Sortase A (SrtA) (Staphylococcus aureus)	BDBM50356012 (AAPTAMINE) Show SMILES COc1cc2ccnc3cc[nH]c(c1OC)c23 Show InChI InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+5	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
endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50356012 (AAPTAMINE) Show SMILES COc1cc2ccnc3cc[nH]c(c1OC)c23 Show InChI InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...				J Nat Prod 75: 1632-6 (2012) Article DOI: 10.1021/np300211x BindingDB Entry DOI: 10.7270/Q2HM59KQ
					More data for this Ligand-Target Pair