Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 449.4 BDBM50514312Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 10 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50514312 (CHEMBL4446421) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of tetra-acetylated histone H4 peptide (1-21) from recombinant human N-terminal His-tagged BRD4 BD1 (44 to 170 residues) expressed in Es...				J Med Chem 62: 11080-11107 (2019) Article DOI: 10.1021/acs.jmedchem.9b01010 BindingDB Entry DOI: 10.7270/Q2280BZP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50514312 (CHEMBL4446421) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of tetra-acetylated histone H4 peptide (1-21) from BRD3 BD1 (unknown origin) incubated for 30 mins followed by further incubation with t...				J Med Chem 62: 11080-11107 (2019) Article DOI: 10.1021/acs.jmedchem.9b01010 BindingDB Entry DOI: 10.7270/Q2280BZP
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50514312 (CHEMBL4446421) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of tetra-acetylated histone H4 peptide (1-21) from BRDT BD1 (unknown origin) incubated for 30 mins followed by further incubation with t...				J Med Chem 62: 11080-11107 (2019) Article DOI: 10.1021/acs.jmedchem.9b01010 BindingDB Entry DOI: 10.7270/Q2280BZP
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50514312 (CHEMBL4446421) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	568	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of tetra-acetylated histone H4 peptide (1-21) from BRPF1b (unknown origin) incubated for 30 mins followed by further incubation with tet...				J Med Chem 62: 11080-11107 (2019) Article DOI: 10.1021/acs.jmedchem.9b01010 BindingDB Entry DOI: 10.7270/Q2280BZP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50514312 (CHEMBL4446421) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of tetra-acetylated histone H4 peptide (1-21) from BRD2 BD1 (unknown origin) incubated for 30 mins followed by further incubation with t...				J Med Chem 62: 11080-11107 (2019) Article DOI: 10.1021/acs.jmedchem.9b01010 BindingDB Entry DOI: 10.7270/Q2280BZP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50514312 (CHEMBL4446421) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of tetra-acetylated histone H4 peptide (1-21) from recombinant human N-terminal His-tagged BRD4 BD2 (349 to 460 residues) expressed in E...				J Med Chem 62: 11080-11107 (2019) Article DOI: 10.1021/acs.jmedchem.9b01010 BindingDB Entry DOI: 10.7270/Q2280BZP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50514312 (CHEMBL4446421) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of tetra-acetylated histone H4 peptide (1-21) from BRD2 BD2 (unknown origin) incubated for 30 mins followed by further incubation with t...				J Med Chem 62: 11080-11107 (2019) Article DOI: 10.1021/acs.jmedchem.9b01010 BindingDB Entry DOI: 10.7270/Q2280BZP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50514312 (CHEMBL4446421) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of tetra-acetylated histone H4 peptide (1-21) from BRD3 BD2 (unknown origin) incubated for 30 mins followed by further incubation with t...				J Med Chem 62: 11080-11107 (2019) Article DOI: 10.1021/acs.jmedchem.9b01010 BindingDB Entry DOI: 10.7270/Q2280BZP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50514312 (CHEMBL4446421) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to immobilized DNA-tagged human BRD4 BD2 by BROMOscan analysis				J Med Chem 62: 11080-11107 (2019) Article DOI: 10.1021/acs.jmedchem.9b01010 BindingDB Entry DOI: 10.7270/Q2280BZP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50514312 (CHEMBL4446421) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to immobilized DNA-tagged human BRD4 BD1 by BROMOscan analysis				J Med Chem 62: 11080-11107 (2019) Article DOI: 10.1021/acs.jmedchem.9b01010 BindingDB Entry DOI: 10.7270/Q2280BZP
					More data for this Ligand-Target Pair