BDBM50251031 CHEMBL4069308

SMILES: O=c1[nH]c(Cc2ccccc2)nc2sc3CCCCCc3c12

InChI Key: InChIKey=XMZDRVVDEKXTRX-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50251031   

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))	BDBM50251031 (CHEMBL4069308) Show SMILES O=c1[nH]c(Cc2ccccc2)nc2sc3CCCCCc3c12 Show InChI InChI=1S/C18H18N2OS/c21-17-16-13-9-5-2-6-10-14(13)22-18(16)20-15(19-17)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...				J Med Chem 60: 9990-10012 (2017) Article DOI: 10.1021/acs.jmedchem.7b00275 BindingDB Entry DOI: 10.7270/Q2M32Z68
					More data for this Ligand-Target Pair