BDBM50234930 CHEMBL4070058

SMILES: NCCCNCc1ccc(NCCCN)[n+]([O-])c1

InChI Key: InChIKey=AEYIFKVDXWZVRJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50234930   

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
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50234930 (CHEMBL4070058) Show SMILES NCCCNCc1ccc(NCCCN)[n+]([O-])c1 Show InChI InChI=1S/C12H23N5O/c13-5-1-7-15-9-11-3-4-12(17(18)10-11)16-8-2-6-14/h3-4,10,15-16H,1-2,5-9,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Tat peptide binding to GST-fused PCAF bromodomain (719 to 832 residues) (unknown origin) after 6 hrs by fluorescence polar...				J Med Chem 62: 4526-4542 (2019) Article DOI: 10.1021/acs.jmedchem.9b00096
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50234930 (CHEMBL4070058) Show SMILES NCCCNCc1ccc(NCCCN)[n+]([O-])c1 Show InChI InChI=1S/C12H23N5O/c13-5-1-7-15-9-11-3-4-12(17(18)10-11)16-8-2-6-14/h3-4,10,15-16H,1-2,5-9,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...				J Med Chem 60: 695-709 (2017) BindingDB Entry DOI: 10.7270/Q2W09863
					More data for this Ligand-Target Pair