BDBM220520 US9296741, 109

SMILES: CCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=JIJWTCHBAPFVMX-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 220520   

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
Bromodomain-containing protein 4 (BRD4)(aa 57-168) (Homo sapiens (Human))	BDBM220520 (US9296741, 109) Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C21H25N3O5S/c1-3-30(26,27)23-14-4-5-19(29-15-7-10-28-11-8-15)17(12-14)18-13-24(2)21(25)20-16(18)6-9-22-20/h4-6,9,12-13,15,22-23H,3,7-8,10-11H2,1-2H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.720	-12.5	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457) (Homo sapiens (Human))	BDBM220520 (US9296741, 109) Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C21H25N3O5S/c1-3-30(26,27)23-14-4-5-19(29-15-7-10-28-11-8-15)17(12-14)18-13-24(2)21(25)20-16(18)6-9-22-20/h4-6,9,12-13,15,22-23H,3,7-8,10-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	-11.5	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair