Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]' and Ligand = 'BDBM331316'   

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))	BDBM331316 (11-(1-Cyclopropyl-1H-pyrazol-4-yl)-5-(dimethyl-1H-...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)-c1cnn(c1)C1CC1 |r| Show InChI InChI=1S/C32H32N8O/c1-20-30(38(2)37-36-20)23-16-28-29(33-17-23)26-10-11-27(24-18-34-39(19-24)25-8-9-25)35-32(26)40(28)31(21-6-4-3-5-7-21)22-12-14-41-15-13-22/h3-7,10-11,16-19,22,25,31H,8-9,12-15H2,1-2H3/t31-/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