BDBM220660 US9296741, 249

SMILES: Cn1cc(-c2cc(ccc2OCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O

InChI Key: InChIKey=LWWKRJNCCDAWSA-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 = 220660   

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))	BDBM220660 (US9296741, 249) Show SMILES Cn1cc(-c2cc(ccc2OCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C18H19N3O4S/c1-21-9-15(13-6-7-20-17(13)18(21)22)14-8-12(26(19,23)24)4-5-16(14)25-10-11-2-3-11/h4-9,11,20H,2-3,10H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.830	-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))	BDBM220660 (US9296741, 249) Show SMILES Cn1cc(-c2cc(ccc2OCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C18H19N3O4S/c1-21-9-15(13-6-7-20-17(13)18(21)22)14-8-12(26(19,23)24)4-5-16(14)25-10-11-2-3-11/h4-9,11,20H,2-3,10H2,1H3,(H2,19,23,24)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	-12.0	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