Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50092341'   

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))	BDBM50092341 (CHEMBL3581660 | US9675697, Cpd. No. 22) Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 |(1.07,4.53,;.13,3.67,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.46,3.6,;-6.42,4.44,;-2.66,3.22,;-2.64,1.63,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;3.96,.87,;5.34,1.67,;5.34,2.95,;2.62,1.63,;1.3,.87,;-1.3,.87,)| Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092341 (CHEMBL3581660 | US9675697, Cpd. No. 22) Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 |(1.07,4.53,;.13,3.67,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.46,3.6,;-6.42,4.44,;-2.66,3.22,;-2.64,1.63,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;3.96,.87,;5.34,1.67,;5.34,2.95,;2.62,1.63,;1.3,.87,;-1.3,.87,)| Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092341 (CHEMBL3581660 | US9675697, Cpd. No. 22) Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 |(1.07,4.53,;.13,3.67,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.46,3.6,;-6.42,4.44,;-2.66,3.22,;-2.64,1.63,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;3.96,.87,;5.34,1.67,;5.34,2.95,;2.62,1.63,;1.3,.87,;-1.3,.87,)| Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092341 (CHEMBL3581660 | US9675697, Cpd. No. 22) Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 |(1.07,4.53,;.13,3.67,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.46,3.6,;-6.42,4.44,;-2.66,3.22,;-2.64,1.63,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;3.96,.87,;5.34,1.67,;5.34,2.95,;2.62,1.63,;1.3,.87,;-1.3,.87,)| Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair