BDBM50148603 CHEMBL3770724

SMILES: CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12

InChI Key: InChIKey=RYVLOOXFFIFQEN-UHFFFAOYSA-N

Data: 12 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50148603   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to recombinant poly-His-tagged BRD4 bromodomain 2 (unknown origin) by isothermal titration calorimetry				J Med Chem 59: 1492-500 (2016) Article DOI: 10.1021/acs.jmedchem.5b01135 BindingDB Entry DOI: 10.7270/Q21V5GVF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to recombinant poly-His-tagged BRD4 bromodomain 1 (unknown origin) by isothermal titration calorimetry				J Med Chem 59: 1492-500 (2016) Article DOI: 10.1021/acs.jmedchem.5b01135 BindingDB Entry DOI: 10.7270/Q21V5GVF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to recombinant poly-His-tagged BRD2 bromodomain 2 (unknown origin) by isothermal titration calorimetry				J Med Chem 59: 1492-500 (2016) Article DOI: 10.1021/acs.jmedchem.5b01135 BindingDB Entry DOI: 10.7270/Q21V5GVF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to recombinant poly-His-tagged BRD2 bromodomain 1 (unknown origin) by isothermal titration calorimetry				J Med Chem 59: 1492-500 (2016) Article DOI: 10.1021/acs.jmedchem.5b01135 BindingDB Entry DOI: 10.7270/Q21V5GVF
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of poly-His tagged CREBBP (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay				J Med Chem 60: 4533-4558 (2017) BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of poly-His tagged BRD4 bromodomain 2 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay				J Med Chem 60: 4533-4558 (2017) BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of poly-His tagged BRD2 bromodomain 2 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay				J Med Chem 60: 4533-4558 (2017) BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to BRD4 BD1 (unknown origin) by ITC method				J Med Chem 61: 4317-4334 (2018) BindingDB Entry DOI: 10.7270/Q27H1N6W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of poly-His tagged BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay				J Med Chem 60: 4533-4558 (2017) BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain and extra-terminal motif (BET) (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of poly-His tagged BRD3 bromodomain 1 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay				J Med Chem 60: 4533-4558 (2017) BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of poly-His tagged BRD3 bromodomain 2 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay				J Med Chem 60: 4533-4558 (2017) BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair