Affinity Data by PDB ID

PDB code 4MR3

Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data
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
Bromodomain-containing protein 4 (126/127 > 99%)^† (Homo sapiens (Human))	BDBM50103503 (CHEMBL2393130) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of human BRD4 BD2 (342 to 460 residues) at 30 uM preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET...				Eur J Med Chem 121: 294-299 (2016) Article DOI: 10.1016/j.ejmech.2016.05.057 BindingDB Entry DOI: 10.7270/Q2K0766Q
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (126/127 > 99%)^† (Homo sapiens (Human))	BDBM50103503 (CHEMBL2393130) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	645	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain-1 (unknown origin) by europium based LANCE TR-FRET assay				Bioorg Med Chem 23: 953-9 (2015) Article DOI: 10.1016/j.bmc.2015.01.022 BindingDB Entry DOI: 10.7270/Q26Q201X
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (126/127 > 99%)^† (Homo sapiens (Human))	BDBM50103503 (CHEMBL2393130) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of human His-tagged BRD4 BD1 (49 to 170 residues) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated for 3...				Eur J Med Chem 121: 294-299 (2016) Article DOI: 10.1016/j.ejmech.2016.05.057 BindingDB Entry DOI: 10.7270/Q2K0766Q
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (126/127 > 99%)^† (Homo sapiens (Human))	BDBM50103503 (CHEMBL2393130) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to BRD4 bromodomain 1 (unknown origin) by isothermal titration calorimetric analysis				J Med Chem 59: 1271-98 (2016) Article DOI: 10.1021/acs.jmedchem.5b01514 BindingDB Entry DOI: 10.7270/Q2X92D6H
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (126/127 > 99%)^† (Homo sapiens (Human))	BDBM50103503 (CHEMBL2393130) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to BRD4 bromodomain 2 (unknown origin) by isothermal titration calorimetric analysis				J Med Chem 59: 1271-98 (2016) Article DOI: 10.1021/acs.jmedchem.5b01514 BindingDB Entry DOI: 10.7270/Q2X92D6H
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (126/127 > 99%)^† (Homo sapiens (Human))	BDBM50103503 (CHEMBL2393130) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry				J Med Chem 59: 1492-500 (2016) Article DOI: 10.1021/acs.jmedchem.5b01135 BindingDB Entry DOI: 10.7270/Q21V5GVF
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (126/127 > 99%)^† (Homo sapiens (Human))	BDBM50103503 (CHEMBL2393130) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	8.93E+3	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 1 by isothermal titration calorimetry				J Med Chem 59: 1492-500 (2016) Article DOI: 10.1021/acs.jmedchem.5b01135 BindingDB Entry DOI: 10.7270/Q21V5GVF
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (126/127 > 99%)^† (Homo sapiens (Human))	BDBM50103503 (CHEMBL2393130) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 2 by isothermal titration calorimetry				J Med Chem 59: 1492-500 (2016) Article DOI: 10.1021/acs.jmedchem.5b01135 BindingDB Entry DOI: 10.7270/Q21V5GVF
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (126/127 > 99%)^† (Homo sapiens (Human))	BDBM50103503 (CHEMBL2393130) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry				J Med Chem 59: 1492-500 (2016) Article DOI: 10.1021/acs.jmedchem.5b01135 BindingDB Entry DOI: 10.7270/Q21V5GVF
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output