Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.3 BDBM50504158

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50504158 (CHEMBL4522533) Show SMILES CC1CCCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Br Show InChI InChI=1S/C17H21BrN4O5S/c1-11-3-2-6-21(9-11)28(26,27)14-7-12(4-5-13(14)18)20-15(23)10-22-16(24)8-19-17(22)25/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,19,25)(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 488 labelled ligand from ATAD2 bromodomain (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3...				J Med Chem 62: 7506-7525 (2019) Article DOI: 10.1021/acs.jmedchem.9b00673 BindingDB Entry DOI: 10.7270/Q22R3VZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504158 (CHEMBL4522533) Show SMILES CC1CCCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Br Show InChI InChI=1S/C17H21BrN4O5S/c1-11-3-2-6-21(9-11)28(26,27)14-7-12(4-5-13(14)18)20-15(23)10-22-16(24)8-19-17(22)25/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,19,25)(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...				J Med Chem 62: 7506-7525 (2019) Article DOI: 10.1021/acs.jmedchem.9b00673 BindingDB Entry DOI: 10.7270/Q22R3VZV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504158 (CHEMBL4522533) Show SMILES CC1CCCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Br Show InChI InChI=1S/C17H21BrN4O5S/c1-11-3-2-6-21(9-11)28(26,27)14-7-12(4-5-13(14)18)20-15(23)10-22-16(24)8-19-17(22)25/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,19,25)(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-F...				J Med Chem 62: 7506-7525 (2019) Article DOI: 10.1021/acs.jmedchem.9b00673 BindingDB Entry DOI: 10.7270/Q22R3VZV
					More data for this Ligand-Target Pair