BindingDB PrimarySearch

BDBM50260093 CHEMBL4078100

SMILES: COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1

InChI Key: InChIKey=RSMYFSPOTCDHHJ-GOSISDBHSA-N

Data: 17 KI 5 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50260093
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))	BDBM50260093 (CHEMBL4078100) 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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boston University Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin)				J Med Chem 62: 10005-10025 (2019) Article DOI: 10.1021/acs.jmedchem.8b01732
Boston University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD4 bromodomain 1 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD3 bromodomain 1 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRDT bromodomain 1 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD2 bromodomain 1 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD4 bromodomain 2 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD2 bromodomain 2 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD3 bromodomain 2 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRDT bromodomain 2 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human TAF1 bromodomain 2 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD9 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1-like (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human TAF1L bromodomain 2 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human CREBBP expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
HIF1A/p300/CREB-binding protein (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human EP300 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,�Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Displacement of Halo-tagged histone H3.3 from N-terminal NanoLuc-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) expressed in HCT116 ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of BRD4 in human MM1S cells assessed as down regulation of c-Myc incubated for 16 hrs by flow cytometry				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of BRD4 in human LNCAP cells assessed as down regulation of nuclear AR level by immunofluorescence assay				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of BRD4 in human MCF7 cells assessed as down regulation of ERalpha after 18 to 24 hrs by Hoechst staining based cellomics arrayscan analys...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) 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	5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,�Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Displacement of Halo-tagged histone H3.3 from NanoLuc-tagged full length BRD4 (unknown origin) expressed in HCT116 cells after 18 hrs by NanoBRET ass...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)