Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]' and Ligand = 'BDBM331249'   

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 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331249 (10-Methanesulfonyl-13-methoxy-5-[4-(2H3)methyl-1-m...) Show SMILES COc1ncc(c2n(C(C3CCOCC3)c3c(F)cc(F)cc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O Show InChI InChI=1S/C28H27F3N6O4S/c1-14-25(36(2)35-34-14)16-9-20-24(32-12-16)23-27(21(42(4,38)39)13-33-28(23)40-3)37(20)26(15-5-7-41-8-6-15)22-18(30)10-17(29)11-19(22)31/h9-13,15,26H,5-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331249 (10-Methanesulfonyl-13-methoxy-5-[4-(2H3)methyl-1-m...) Show SMILES COc1ncc(c2n(C(C3CCOCC3)c3c(F)cc(F)cc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O Show InChI InChI=1S/C28H27F3N6O4S/c1-14-25(36(2)35-34-14)16-9-20-24(32-12-16)23-27(21(42(4,38)39)13-33-28(23)40-3)37(20)26(15-5-7-41-8-6-15)22-18(30)10-17(29)11-19(22)31/h9-13,15,26H,5-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.50E+3	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 US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair