BDBM50156344 CHEMBL3787210

SMILES: Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](N)C3)(c3ccsc3)c2c1

InChI Key: InChIKey=REVXYXMYDPWVSB-LBOXEOMUSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50156344   

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 (BRD4 (aa 1-477) (Homo sapiens (Human))	BDBM50156344 (CHEMBL3787210) Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](N)C3)(c3ccsc3)c2c1 |r| Show InChI InChI=1S/C22H24N4O2S/c1-13-20(14(2)28-25-13)15-5-6-19-18(10-15)22(21(27)24-19,16-7-9-29-12-16)26-8-3-4-17(23)11-26/h5-7,9-10,12,17H,3-4,8,11,23H2,1-2H3,(H,24,27)/t17-,22?/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
BeiGene, Ltd. US Patent					Assay Description The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...				US Patent US9393232 (2016) BindingDB Entry DOI: 10.7270/Q25T3JDK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4 (aa 1-477) (Homo sapiens (Human))	BDBM50156344 (CHEMBL3787210) Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](N)C3)(c3ccsc3)c2c1 |r| Show InChI InChI=1S/C22H24N4O2S/c1-13-20(14(2)28-25-13)15-5-6-19-18(10-15)22(21(27)24-19,16-7-9-29-12-16)26-8-3-4-17(23)11-26/h5-7,9-10,12,17H,3-4,8,11,23H2,1-2H3,(H,24,27)/t17-,22?/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	n/a
BeiGene, Ltd. US Patent					Assay Description The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...				US Patent US9393232 (2016) BindingDB Entry DOI: 10.7270/Q25T3JDK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50156344 (CHEMBL3787210) Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](N)C3)(c3ccsc3)c2c1 |r| Show InChI InChI=1S/C22H24N4O2S/c1-13-20(14(2)28-25-13)15-5-6-19-18(10-15)22(21(27)24-19,16-7-9-29-12-16)26-8-3-4-17(23)11-26/h5-7,9-10,12,17H,3-4,8,11,23H2,1-2H3,(H,24,27)/t17-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 Inhibition of recombinant human N-terminal His6-tagged BRD4 (1 to 477 residues) expressed in Escherichia coli using tetra-acetylated histone peptide ...				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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50156344 (CHEMBL3787210) Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](N)C3)(c3ccsc3)c2c1 |r| Show InChI InChI=1S/C22H24N4O2S/c1-13-20(14(2)28-25-13)15-5-6-19-18(10-15)22(21(27)24-19,16-7-9-29-12-16)26-8-3-4-17(23)11-26/h5-7,9-10,12,17H,3-4,8,11,23H2,1-2H3,(H,24,27)/t17-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain1 in human MV4-11 cells				J Med Chem 59: 1271-98 (2016) BindingDB Entry DOI: 10.7270/Q2X92D6H
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50156344 (CHEMBL3787210) Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](N)C3)(c3ccsc3)c2c1 |r| Show InChI InChI=1S/C22H24N4O2S/c1-13-20(14(2)28-25-13)15-5-6-19-18(10-15)22(21(27)24-19,16-7-9-29-12-16)26-8-3-4-17(23)11-26/h5-7,9-10,12,17H,3-4,8,11,23H2,1-2H3,(H,24,27)/t17-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 (1 to 477 residues) expressed in Escherichia coli in...				J Med Chem 59: 1271-98 (2016) BindingDB Entry DOI: 10.7270/Q2X92D6H
					More data for this Ligand-Target Pair