BDBM220614 US9296741, 203

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

InChI Key: InChIKey=NBRRDAGQJCKBBQ-SHTZXODSSA-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 = 220614   

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))	BDBM220614 (US9296741, 203) Show SMILES CCS(=O)(=O)c1ccc(O[C@H]2CC[C@H](O)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |wU:10.9,wD:13.13,(5.29,1.39,;6.06,2.73,;5.29,4.06,;4.52,5.39,;6.62,4.83,;3.95,3.29,;2.62,4.06,;1.29,3.29,;1.29,1.75,;-.05,.98,;-1.38,1.75,;-2.71,.98,;-4.05,1.75,;-4.05,3.29,;-5.38,4.06,;-2.71,4.06,;-1.38,3.29,;2.62,.98,;3.95,1.75,;2.62,-.56,;3.95,-1.33,;3.95,-2.87,;5.29,-3.64,;2.62,-3.64,;2.62,-5.18,;1.29,-2.87,;-.18,-3.35,;-1.08,-2.1,;-.18,-.85,;1.29,-1.33,)| Show InChI InChI=1S/C22H26N2O5S/c1-3-30(27,28)16-8-9-20(29-15-6-4-14(25)5-7-15)18(12-16)19-13-24(2)22(26)21-17(19)10-11-23-21/h8-15,23,25H,3-7H2,1-2H3/t14-,15-	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.690	-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))	BDBM220614 (US9296741, 203) Show SMILES CCS(=O)(=O)c1ccc(O[C@H]2CC[C@H](O)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |wU:10.9,wD:13.13,(5.29,1.39,;6.06,2.73,;5.29,4.06,;4.52,5.39,;6.62,4.83,;3.95,3.29,;2.62,4.06,;1.29,3.29,;1.29,1.75,;-.05,.98,;-1.38,1.75,;-2.71,.98,;-4.05,1.75,;-4.05,3.29,;-5.38,4.06,;-2.71,4.06,;-1.38,3.29,;2.62,.98,;3.95,1.75,;2.62,-.56,;3.95,-1.33,;3.95,-2.87,;5.29,-3.64,;2.62,-3.64,;2.62,-5.18,;1.29,-2.87,;-.18,-3.35,;-1.08,-2.1,;-.18,-.85,;1.29,-1.33,)| Show InChI InChI=1S/C22H26N2O5S/c1-3-30(27,28)16-8-9-20(29-15-6-4-14(25)5-7-15)18(12-16)19-13-24(2)22(26)21-17(19)10-11-23-21/h8-15,23,25H,3-7H2,1-2H3/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.75	-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