BindingDB PrimarySearch

BDBM50251045 CHEMBL4077274

SMILES: CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1

InChI Key: InChIKey=PXJZRFLBUBYEPV-UHFFFAOYSA-N

Data: 15 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50251045
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD4 bromodomain-1 (342 to 460 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET as...				J Med Chem 60: 9990-10012 (2017) Article DOI: 10.1021/acs.jmedchem.7b00275 BindingDB Entry DOI: 10.7270/Q2M32Z68
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged BRD2 bromodomain-2 (339 to 459 residues) expressed in Escherichia coli expression system after ...				J Med Chem 60: 9990-10012 (2017) Article DOI: 10.1021/acs.jmedchem.7b00275 BindingDB Entry DOI: 10.7270/Q2M32Z68
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged BRD3 bromodomain-1 (29 to 145 residues) expressed in Escherichia coli expression system after 1...				J Med Chem 60: 9990-10012 (2017) Article DOI: 10.1021/acs.jmedchem.7b00275 BindingDB Entry DOI: 10.7270/Q2M32Z68
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human 6x-His-tagged BRD3 bromodomain 1 expressed in Escherichia coli				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human 6x-His-tagged BRD3 bromodomain 2 expressed in Escherichia coli				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human 6x-His-tagged BRD4 bromodomain 2 expressed in Escherichia coli				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human 6x-His-tagged BRD2 bromodomain 1 expressed in Escherichia coli				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD4 bromodomain-1 (342 to 460 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET as...				J Med Chem 60: 9990-10012 (2017) Article DOI: 10.1021/acs.jmedchem.7b00275 BindingDB Entry DOI: 10.7270/Q2M32Z68
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged BRD3 bromodomain-1 (29 to 145 residues) expressed in Escherichia coli expression system after 1...				J Med Chem 60: 9990-10012 (2017) Article DOI: 10.1021/acs.jmedchem.7b00275 BindingDB Entry DOI: 10.7270/Q2M32Z68
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...				J Med Chem 60: 9990-10012 (2017) Article DOI: 10.1021/acs.jmedchem.7b00275 BindingDB Entry DOI: 10.7270/Q2M32Z68
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged BRD2 bromodomain-2 (339 to 459 residues) expressed in Escherichia coli expression system after ...				J Med Chem 60: 9990-10012 (2017) Article DOI: 10.1021/acs.jmedchem.7b00275 BindingDB Entry DOI: 10.7270/Q2M32Z68
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human 6x-His-tagged BRD2 bromodomain 2 expressed in Escherichia coli				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human 6x-His-tagged BRD4 bromodomain 1 expressed in Escherichia coli				J Med Chem 61: 9316-9334 (2018) Article DOI: 10.1021/acs.jmedchem.8b01248
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged BRDT bromodomain-1 (22 to 138 residues) expressed in Escherichia coli expression system after 1...				J Med Chem 60: 9990-10012 (2017) Article DOI: 10.1021/acs.jmedchem.7b00275 BindingDB Entry DOI: 10.7270/Q2M32Z68
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair