BDBM111086 US9695179, 83

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

InChI Key: InChIKey=BLXDMSFOEDBEGQ-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 = 111086   

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))	BDBM111086 (US9695179, 83) Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc(C)cc3)c(-c3coc(C)n3)c2=O)cc1 Show InChI InChI=1S/C28H23ClN2O6S/c1-17-4-11-22(12-5-17)38(33,34)37-27-23-14-20(29)8-13-25(23)31(15-19-6-9-21(35-3)10-7-19)28(32)26(27)24-16-36-18(2)30-24/h4-14,16H,15H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.42E+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