Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [342-460]/[42-168]' and Ligand = 'BDBM111133'   

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 [342-460]/[42-168] (Homo sapiens (Human))	BDBM111133 (US9695179, 128) Show SMILES CNC(=S)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:5| Show InChI InChI=1S/C26H21ClN4OS/c1-28-26(33)31-22(16-8-4-2-5-9-16)15-21(30-31)24-23(17-10-6-3-7-11-17)19-14-18(27)12-13-20(19)29-25(24)32/h2-14,22H,15H2,1H3,(H,28,33)(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	25
ConverGene LLC US Patent					Assay Description The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...				US Patent US9695179 (2017) BindingDB Entry DOI: 10.7270/Q21G0JF6
					More data for this Ligand-Target Pair