Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 217.2 BDBM50353591

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
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50353591 (CHEMBL1828981) Show SMILES CCOc1cccc(c1)-c1c(C)noc1C Show InChI InChI=1S/C13H15NO2/c1-4-15-12-7-5-6-11(8-12)13-9(2)14-16-10(13)3/h5-8H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay				J Med Chem 54: 6761-70 (2011) Article DOI: 10.1021/jm200640v BindingDB Entry DOI: 10.7270/Q2RV0P3P
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50353591 (CHEMBL1828981) Show SMILES CCOc1cccc(c1)-c1c(C)noc1C Show InChI InChI=1S/C13H15NO2/c1-4-15-12-7-5-6-11(8-12)13-9(2)14-16-10(13)3/h5-8H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay				J Med Chem 54: 6761-70 (2011) Article DOI: 10.1021/jm200640v BindingDB Entry DOI: 10.7270/Q2RV0P3P
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50353591 (CHEMBL1828981) Show SMILES CCOc1cccc(c1)-c1c(C)noc1C Show InChI InChI=1S/C13H15NO2/c1-4-15-12-7-5-6-11(8-12)13-9(2)14-16-10(13)3/h5-8H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K56Ac from human CREBBP by peptide displacement assay				J Med Chem 54: 6761-70 (2011) Article DOI: 10.1021/jm200640v BindingDB Entry DOI: 10.7270/Q2RV0P3P
					More data for this Ligand-Target Pair				3D Structure (docked)