BDBM111093 US9695179, 89

SMILES: COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc(cc3)-c3ccccc3)c(-c3coc(C)n3)c2=O)cc1

InChI Key: InChIKey=NZEIKKNAFFKJOH-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 111093   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
BRD4-BD1-BD2 (Homo sapiens (Human))	BDBM111093 (US9695179, 89) Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc(cc3)-c3ccccc3)c(-c3coc(C)n3)c2=O)cc1 Show InChI InChI=1S/C33H25ClN2O6S/c1-21-35-29(20-41-21)31-32(42-43(38,39)27-15-10-24(11-16-27)23-6-4-3-5-7-23)28-18-25(34)12-17-30(28)36(33(31)37)19-22-8-13-26(40-2)14-9-22/h3-18,20H,19H2,1-2H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.86E+5	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