Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM320351'   

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))	BDBM320351 (3-Fluoro-2-{[7-(4-methanesulfonylpiperidin-1-yl)-3...) Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)N1CCC(CC1)S(C)(=O)=O Show InChI InChI=1S/C32H36FN7O3S/c1-20-31(38(2)37-36-20)22-17-28-29(35-19-22)25-7-6-23(39-13-8-24(9-14-39)44(3,41)42)18-27(25)40(28)32(21-10-15-43-16-11-21)30-26(33)5-4-12-34-30/h4-7,12,17-19,21,24,32H,8-11,13-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US10174024 (2019) BindingDB Entry DOI: 10.7270/Q2319XZ1
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM320351 (3-Fluoro-2-{[7-(4-methanesulfonylpiperidin-1-yl)-3...) Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)N1CCC(CC1)S(C)(=O)=O Show InChI InChI=1S/C32H36FN7O3S/c1-20-31(38(2)37-36-20)22-17-28-29(35-19-22)25-7-6-23(39-13-8-24(9-14-39)44(3,41)42)18-27(25)40(28)32(21-10-15-43-16-11-21)30-26(33)5-4-12-34-30/h4-7,12,17-19,21,24,32H,8-11,13-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US10174024 (2019) BindingDB Entry DOI: 10.7270/Q2319XZ1
					More data for this Ligand-Target Pair