Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM310898'   

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))	BDBM310898 (N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM310898 (N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay				J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 BindingDB Entry DOI: 10.7270/Q2VQ3641
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM310898 (N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay				J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 BindingDB Entry DOI: 10.7270/Q2VQ3641
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM310898 (N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay				J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 BindingDB Entry DOI: 10.7270/Q2VQ3641
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM310898 (N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay				J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 BindingDB Entry DOI: 10.7270/Q2VQ3641
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM310898 (N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair				3D Structure (crystal)