BDBM220580 US9296741, 169

SMILES: CCS(=O)(=O)c1ccc(OC2CCC(F)(F)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=CPPVPVMEYLNEAH-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 = 220580   

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 352-457) (Homo sapiens (Human))	BDBM220580 (US9296741, 169) Show SMILES CCS(=O)(=O)c1ccc(OC2CCC(F)(F)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H24F2N2O4S/c1-3-31(28,29)15-4-5-19(30-14-6-9-22(23,24)10-7-14)17(12-15)18-13-26(2)21(27)20-16(18)8-11-25-20/h4-5,8,11-14,25H,3,6-7,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.860	-12.4	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 57-168) (Homo sapiens (Human))	BDBM220580 (US9296741, 169) Show SMILES CCS(=O)(=O)c1ccc(OC2CCC(F)(F)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H24F2N2O4S/c1-3-31(28,29)15-4-5-19(30-14-6-9-22(23,24)10-7-14)17(12-15)18-13-26(2)21(27)20-16(18)8-11-25-20/h4-5,8,11-14,25H,3,6-7,9-10H2,1-2H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.880	-12.3	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