SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 327.3
BDBM50148552

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

Found 8 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
CREB-binding protein (Homo sapiens (Human))	BDBM50148552 (CHEMBL3770150) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay				J Med Chem 59: 1350-6 (2016) Article DOI: 10.1021/acs.jmedchem.5b00172 BindingDB Entry DOI: 10.7270/Q2F47R0S
University of Z£rich Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148552 (CHEMBL3770150) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Competitive binding affinity to human BRD4 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...				J Med Chem 59: 1350-6 (2016) Article DOI: 10.1021/acs.jmedchem.5b00172 BindingDB Entry DOI: 10.7270/Q2F47R0S
University of Z£rich Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148552 (CHEMBL3770150) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Competitive binding affinity to human BRD4 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...				J Med Chem 59: 1350-6 (2016) Article DOI: 10.1021/acs.jmedchem.5b00172 BindingDB Entry DOI: 10.7270/Q2F47R0S
University of Z£rich Curated by ChEMBL					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50148552 (CHEMBL3770150) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...				J Med Chem 59: 1340-9 (2016) Article DOI: 10.1021/acs.jmedchem.5b00171 BindingDB Entry DOI: 10.7270/Q22J6DRV
University of Z£rich Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50148552 (CHEMBL3770150) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Competitive binding affinity to human BRD2 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...				J Med Chem 59: 1350-6 (2016) Article DOI: 10.1021/acs.jmedchem.5b00172 BindingDB Entry DOI: 10.7270/Q2F47R0S
University of Z£rich Curated by ChEMBL					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50148552 (CHEMBL3770150) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CREBBP expressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry				J Med Chem 59: 1350-6 (2016) Article DOI: 10.1021/acs.jmedchem.5b00172 BindingDB Entry DOI: 10.7270/Q2F47R0S
University of Z£rich Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50148552 (CHEMBL3770150) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...				J Med Chem 59: 1350-6 (2016) Article DOI: 10.1021/acs.jmedchem.5b00172 BindingDB Entry DOI: 10.7270/Q2F47R0S
University of Z£rich Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50148552 (CHEMBL3770150) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Competitive binding affinity to human BRD2 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...				J Med Chem 59: 1350-6 (2016) Article DOI: 10.1021/acs.jmedchem.5b00172 BindingDB Entry DOI: 10.7270/Q2F47R0S
University of Z£rich Curated by ChEMBL					More data for this Ligand-Target Pair