BDBM220445 US9296741, 34

SMILES: Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2Cl)c2cc[nH]c2c1=O

InChI Key: InChIKey=HFBQMUDGBKXMKA-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 220445   

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))	BDBM220445 (US9296741, 34) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2Cl)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17ClFN3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(23)9-17(19)22/h3-11,24-25H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	-11.8	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 (Homo sapiens (Human))	BDBM220445 (US9296741, 34) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2Cl)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17ClFN3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(23)9-17(19)22/h3-11,24-25H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 57-168) (Homo sapiens (Human))	BDBM220445 (US9296741, 34) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2Cl)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17ClFN3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(23)9-17(19)22/h3-11,24-25H,1-2H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.5	-11.5	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 (Homo sapiens (Human))	BDBM220445 (US9296741, 34) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2Cl)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17ClFN3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(23)9-17(19)22/h3-11,24-25H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif...				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair