BDBM220454 US9296741, 43

SMILES: Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)N2CCCS2(=O)=O)c2cc[nH]c2c1=O

InChI Key: InChIKey=LBXQLGRAZRCPAY-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 = 220454   

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))	BDBM220454 (US9296741, 43) Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)N2CCCS2(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C23H19F2N3O4S/c1-27-13-18(16-7-8-26-22(16)23(27)29)17-12-15(28-9-2-10-33(28,30)31)4-6-20(17)32-21-5-3-14(24)11-19(21)25/h3-8,11-13,26H,2,9-10H2,1H3	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
Bromodomain-containing protein 4 (BRD4)(aa 57-168) (Homo sapiens (Human))	BDBM220454 (US9296741, 43) Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)N2CCCS2(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C23H19F2N3O4S/c1-27-13-18(16-7-8-26-22(16)23(27)29)17-12-15(28-9-2-10-33(28,30)31)4-6-20(17)32-21-5-3-14(24)11-19(21)25/h3-8,11-13,26H,2,9-10H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	-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