BDBM50398244 CHEMBL609728

SMILES: Cc1ccc(NCCCN)c(c1)[N+]([O-])=O

InChI Key: InChIKey=FKZUPMCBVURANR-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50398244   

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 PCAF (Homo sapiens (Human))	BDBM50398244 (CHEMBL609728) Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of biotinylated Tat-KAc50 peptide binding to PCAF				J Med Chem 55: 9393-413 (2012) Article DOI: 10.1021/jm300915b BindingDB Entry DOI: 10.7270/Q25B03NC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50398244 (CHEMBL609728) Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of biotinylated Tat-AcK50 binding to GST-fused PCAF bromodomain (719 to 832 residues) (unknown origin) expressed in Escherichia coli BL21(...				J Med Chem 62: 4526-4542 (2019) Article DOI: 10.1021/acs.jmedchem.9b00096
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 Tat protein (Human immunodeficiency virus type 1 (isolate HXB2 ...)	BDBM50398244 (CHEMBL609728) Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Tat-mediated transcription of viral promoter in 293 T cells transfected with HIV1 tat by luciferase reporter gene assay				J Med Chem 50: 2285-8 (2007) Article DOI: 10.1021/jm070014g BindingDB Entry DOI: 10.7270/Q2WW7MG1
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50398244 (CHEMBL609728) Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	1.60E+3	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				3D Structure (crystal)