BDBM50443247 CHEMBL3087046

SMILES: COc1cc(ccc1S(=O)(=O)Nc1ccccn1)N=Nc1cc(C)c(O)c(C)c1

InChI Key: InChIKey=ZQLWHZAQJSYSRK-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 = 50443247   

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 (Homo sapiens (Human))	BDBM50443247 (CHEMBL3087046) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccccn1)N=Nc1cc(C)c(O)c(C)c1 |w:19.21| Show InChI InChI=1S/C20H20N4O4S/c1-13-10-16(11-14(2)20(13)25)23-22-15-7-8-18(17(12-15)28-3)29(26,27)24-19-6-4-5-9-21-19/h4-12,25H,1-3H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD1 after 1 hr by fluorescence anisotropy assay				J Med Chem 56: 9251-64 (2013) Article DOI: 10.1021/jm401334s BindingDB Entry DOI: 10.7270/Q2ZW1NCF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50443247 (CHEMBL3087046) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccccn1)N=Nc1cc(C)c(O)c(C)c1 |w:19.21| Show InChI InChI=1S/C20H20N4O4S/c1-13-10-16(11-14(2)20(13)25)23-22-15-7-8-18(17(12-15)28-3)29(26,27)24-19-6-4-5-9-21-19/h4-12,25H,1-3H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD2 after 1 hr by fluorescence anisotropy assay				J Med Chem 56: 9251-64 (2013) Article DOI: 10.1021/jm401334s BindingDB Entry DOI: 10.7270/Q2ZW1NCF
					More data for this Ligand-Target Pair