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SMILES: COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50578806   

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))	BDBM50578806 (CHEMBL4861057) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(46.84,-5.14,;46.07,-6.48,;44.53,-6.48,;43.77,-7.82,;44.39,-9.22,;43.26,-10.25,;43.27,-11.8,;41.94,-12.57,;40.6,-11.8,;39.27,-12.58,;37.94,-11.81,;36.6,-12.58,;35.2,-11.96,;34.88,-10.45,;34.17,-13.1,;34.94,-14.44,;36.44,-14.12,;37.59,-15.15,;37.94,-10.27,;36.6,-9.5,;36.6,-7.96,;39.27,-9.5,;40.6,-10.26,;41.93,-9.49,;42.24,-7.99,;41.21,-6.85,;41.68,-5.38,;43.18,-5.06,;43.66,-3.6,;42.62,-2.46,;41.11,-2.79,;40.64,-4.25,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	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))	BDBM50578806 (CHEMBL4861057) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(46.84,-5.14,;46.07,-6.48,;44.53,-6.48,;43.77,-7.82,;44.39,-9.22,;43.26,-10.25,;43.27,-11.8,;41.94,-12.57,;40.6,-11.8,;39.27,-12.58,;37.94,-11.81,;36.6,-12.58,;35.2,-11.96,;34.88,-10.45,;34.17,-13.1,;34.94,-14.44,;36.44,-14.12,;37.59,-15.15,;37.94,-10.27,;36.6,-9.5,;36.6,-7.96,;39.27,-9.5,;40.6,-10.26,;41.93,-9.49,;42.24,-7.99,;41.21,-6.85,;41.68,-5.38,;43.18,-5.06,;43.66,-3.6,;42.62,-2.46,;41.11,-2.79,;40.64,-4.25,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	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