null

SMILES: COc1cc2c3n(CC4CC4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50578810   

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))	BDBM50578810 (CHEMBL4849704) Show SMILES COc1cc2c3n(CC4CC4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(37.69,-21.65,;37.69,-23.19,;39.03,-23.96,;40.35,-23.19,;41.69,-23.96,;43.02,-23.18,;43.33,-21.68,;42.3,-20.54,;40.79,-20.87,;39.33,-20.4,;39.65,-21.91,;44.85,-21.52,;45.48,-22.92,;44.35,-23.95,;44.36,-25.49,;43.03,-26.27,;41.69,-25.5,;40.36,-26.28,;39.02,-25.51,;37.69,-26.28,;36.29,-25.66,;35.97,-24.15,;35.26,-26.8,;36.03,-28.13,;37.53,-27.81,;38.68,-28.84,;45.62,-20.18,;47.15,-20.17,;47.92,-18.85,;47.15,-17.51,;45.61,-17.51,;44.84,-18.85,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578810 (CHEMBL4849704) Show SMILES COc1cc2c3n(CC4CC4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(37.69,-21.65,;37.69,-23.19,;39.03,-23.96,;40.35,-23.19,;41.69,-23.96,;43.02,-23.18,;43.33,-21.68,;42.3,-20.54,;40.79,-20.87,;39.33,-20.4,;39.65,-21.91,;44.85,-21.52,;45.48,-22.92,;44.35,-23.95,;44.36,-25.49,;43.03,-26.27,;41.69,-25.5,;40.36,-26.28,;39.02,-25.51,;37.69,-26.28,;36.29,-25.66,;35.97,-24.15,;35.26,-26.8,;36.03,-28.13,;37.53,-27.81,;38.68,-28.84,;45.62,-20.18,;47.15,-20.17,;47.92,-18.85,;47.15,-17.51,;45.61,-17.51,;44.84,-18.85,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	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))	BDBM50578810 (CHEMBL4849704) Show SMILES COc1cc2c3n(CC4CC4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(37.69,-21.65,;37.69,-23.19,;39.03,-23.96,;40.35,-23.19,;41.69,-23.96,;43.02,-23.18,;43.33,-21.68,;42.3,-20.54,;40.79,-20.87,;39.33,-20.4,;39.65,-21.91,;44.85,-21.52,;45.48,-22.92,;44.35,-23.95,;44.36,-25.49,;43.03,-26.27,;41.69,-25.5,;40.36,-26.28,;39.02,-25.51,;37.69,-26.28,;36.29,-25.66,;35.97,-24.15,;35.26,-26.8,;36.03,-28.13,;37.53,-27.81,;38.68,-28.84,;45.62,-20.18,;47.15,-20.17,;47.92,-18.85,;47.15,-17.51,;45.61,-17.51,;44.84,-18.85,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human whole blood assessed as reduction in LPS-induced IL-6 secretion preincubated for 30 mins followed by LPS stimulation and ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair