BDBM220671 US9296741, 260

SMILES: CCS(=O)(=O)c1ccc(O[C@H]2CC[C@@H](CC2)OC)c(c1)-c1cn(C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=MCXAMGDOPCVCLB-WKILWMFISA-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 = 220671   

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))	BDBM220671 (US9296741, 260) Show SMILES CCS(=O)(=O)c1ccc(O[C@H]2CC[C@@H](CC2)OC)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |wU:10.9,wD:13.16,(5.73,1.29,;6.5,2.62,;5.73,3.95,;4.96,5.29,;7.07,4.72,;4.4,3.18,;3.06,3.95,;1.73,3.18,;1.73,1.64,;.4,.87,;-.94,1.64,;-2.27,.87,;-3.6,1.64,;-3.6,3.18,;-2.27,3.95,;-.94,3.18,;-4.94,3.95,;-6.27,3.18,;3.06,.87,;4.4,1.64,;3.06,-.67,;4.4,-1.44,;4.4,-2.98,;5.73,-3.75,;3.06,-3.75,;3.06,-5.29,;1.73,-2.98,;.27,-3.45,;-.64,-2.21,;.27,-.96,;1.73,-1.44,)| Show InChI InChI=1S/C23H28N2O5S/c1-4-31(27,28)17-9-10-21(30-16-7-5-15(29-3)6-8-16)19(13-17)20-14-25(2)23(26)22-18(20)11-12-24-22/h9-16,24H,4-8H2,1-3H3/t15-,16-	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-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
Bromodomain-containing protein 4 (BRD4)(aa 352-457) (Homo sapiens (Human))	BDBM220671 (US9296741, 260) Show SMILES CCS(=O)(=O)c1ccc(O[C@H]2CC[C@@H](CC2)OC)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |wU:10.9,wD:13.16,(5.73,1.29,;6.5,2.62,;5.73,3.95,;4.96,5.29,;7.07,4.72,;4.4,3.18,;3.06,3.95,;1.73,3.18,;1.73,1.64,;.4,.87,;-.94,1.64,;-2.27,.87,;-3.6,1.64,;-3.6,3.18,;-2.27,3.95,;-.94,3.18,;-4.94,3.95,;-6.27,3.18,;3.06,.87,;4.4,1.64,;3.06,-.67,;4.4,-1.44,;4.4,-2.98,;5.73,-3.75,;3.06,-3.75,;3.06,-5.29,;1.73,-2.98,;.27,-3.45,;-.64,-2.21,;.27,-.96,;1.73,-1.44,)| Show InChI InChI=1S/C23H28N2O5S/c1-4-31(27,28)17-9-10-21(30-16-7-5-15(29-3)6-8-16)19(13-17)20-14-25(2)23(26)22-18(20)11-12-24-22/h9-16,24H,4-8H2,1-3H3/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	-12.2	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