BDBM50071105 CHEMBL3410003

SMILES: O=C(Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1)C1CC1

InChI Key: InChIKey=OLJJIVPNEQZRJR-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50071105   

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))	BDBM50071105 (CHEMBL3410003) Show SMILES O=C(Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1)C1CC1 Show InChI InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair				3D Structure (crystal)