BDBM111090 US9695179, 87

SMILES: COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc4ccccc4c3)c(-c3coc(C)n3)c2=O)cc1

InChI Key: InChIKey=JPHGXJGULJAFME-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 = 111090   

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))	BDBM111090 (US9695179, 87) Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc4ccccc4c3)c(-c3coc(C)n3)c2=O)cc1 Show InChI InChI=1S/C31H23ClN2O6S/c1-19-33-27(18-39-19)29-30(40-41(36,37)25-13-9-21-5-3-4-6-22(21)15-25)26-16-23(32)10-14-28(26)34(31(29)35)17-20-7-11-24(38-2)12-8-20/h3-16,18H,17H2,1-2H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.39E+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