Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]' and Ligand = 'BDBM331211'   

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))	BDBM331211 (5-(Dimethyl-1,2-oxazol-4-yl)-10-methanesulfonyl-13...) Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)noc1C)S(C)(=O)=O |r| Show InChI InChI=1S/C29H30N4O5S/c1-17-24(18(2)38-32-17)21-14-22-26(30-15-21)25-28(23(39(4,34)35)16-31-29(25)36-3)33(22)27(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-16,20,27H,10-13H2,1-4H3/t27-/m1/s1	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))	BDBM331211 (5-(Dimethyl-1,2-oxazol-4-yl)-10-methanesulfonyl-13...) Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)noc1C)S(C)(=O)=O |r| Show InChI InChI=1S/C29H30N4O5S/c1-17-24(18(2)38-32-17)21-14-22-26(30-15-21)25-28(23(39(4,34)35)16-31-29(25)36-3)33(22)27(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-16,20,27H,10-13H2,1-4H3/t27-/m1/s1	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))	BDBM331211 (5-(Dimethyl-1,2-oxazol-4-yl)-10-methanesulfonyl-13...) Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)noc1C)S(C)(=O)=O |r| Show InChI InChI=1S/C29H30N4O5S/c1-17-24(18(2)38-32-17)21-14-22-26(30-15-21)25-28(23(39(4,34)35)16-31-29(25)36-3)33(22)27(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-16,20,27H,10-13H2,1-4H3/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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