Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50578801'   

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))	BDBM50578801 (CHEMBL4862592) Show SMILES COc1cc2c3n(Cc4ccccn4)c(C)nc3cnc2cc1-c1c(C)noc1C |(17.97,-53.92,;17.97,-55.46,;19.3,-56.23,;20.63,-55.45,;21.97,-56.22,;23.29,-55.45,;23.61,-53.94,;22.57,-52.8,;23.04,-51.34,;24.55,-51.02,;25.02,-49.56,;23.98,-48.42,;22.47,-48.75,;22.01,-50.21,;25.13,-53.78,;25.9,-52.44,;25.76,-55.18,;24.62,-56.21,;24.64,-57.75,;23.3,-58.53,;21.97,-57.76,;20.63,-58.54,;19.3,-57.77,;17.97,-58.54,;16.56,-57.92,;16.24,-56.41,;15.53,-59.06,;16.3,-60.4,;17.81,-60.08,;18.95,-61.11,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578801 (CHEMBL4862592) Show SMILES COc1cc2c3n(Cc4ccccn4)c(C)nc3cnc2cc1-c1c(C)noc1C |(17.97,-53.92,;17.97,-55.46,;19.3,-56.23,;20.63,-55.45,;21.97,-56.22,;23.29,-55.45,;23.61,-53.94,;22.57,-52.8,;23.04,-51.34,;24.55,-51.02,;25.02,-49.56,;23.98,-48.42,;22.47,-48.75,;22.01,-50.21,;25.13,-53.78,;25.9,-52.44,;25.76,-55.18,;24.62,-56.21,;24.64,-57.75,;23.3,-58.53,;21.97,-57.76,;20.63,-58.54,;19.3,-57.77,;17.97,-58.54,;16.56,-57.92,;16.24,-56.41,;15.53,-59.06,;16.3,-60.4,;17.81,-60.08,;18.95,-61.11,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair