Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM243269'   

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))	BDBM243269 (3-(3,5-dimethyl-4- isoxazolyl)-7-((3-fluoro-1- pip...) Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCCC(F)C1)S(C)(=O)=O Show InChI InChI=1S/C25H25FN4O5S/c1-13-22(14(2)35-28-13)16-9-19-18-7-6-15(25(32)29-8-4-5-17(26)12-29)11-21(18)30(36(3,33)34)23(19)20(10-16)24(27)31/h6-7,9-11,17H,4-5,8,12H2,1-3H3,(H2,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	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 US10053454 (2018) BindingDB Entry DOI: 10.7270/Q2C24ZFN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM243269 (3-(3,5-dimethyl-4- isoxazolyl)-7-((3-fluoro-1- pip...) Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCCC(F)C1)S(C)(=O)=O Show InChI InChI=1S/C25H25FN4O5S/c1-13-22(14(2)35-28-13)16-9-19-18-7-6-15(25(32)29-8-4-5-17(26)12-29)11-21(18)30(36(3,33)34)23(19)20(10-16)24(27)31/h6-7,9-11,17H,4-5,8,12H2,1-3H3,(H2,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	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 US10196387 (2019) BindingDB Entry DOI: 10.7270/Q26112DD
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM243269 (3-(3,5-dimethyl-4- isoxazolyl)-7-((3-fluoro-1- pip...) Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCCC(F)C1)S(C)(=O)=O Show InChI InChI=1S/C25H25FN4O5S/c1-13-22(14(2)35-28-13)16-9-19-18-7-6-15(25(32)29-8-4-5-17(26)12-29)11-21(18)30(36(3,33)34)23(19)20(10-16)24(27)31/h6-7,9-11,17H,4-5,8,12H2,1-3H3,(H2,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	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 US10196387 (2019) BindingDB Entry DOI: 10.7270/Q29S1T30
					More data for this Ligand-Target Pair