BDBM50150714 CHEMBL3775080

SMILES: CCCCn1c2nc(CSc3n[nH]c(N)n3)n(CC)c2c(=O)[nH]c1=O

InChI Key: InChIKey=MXIGEXYNJXBRRF-UHFFFAOYSA-N

Data: 1 IC50

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 = 50150714   

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))	BDBM50150714 (CHEMBL3775080) Show SMILES CCCCn1c2nc(CSc3n[nH]c(N)n3)n(CC)c2c(=O)[nH]c1=O Show InChI InChI=1S/C14H20N8O2S/c1-3-5-6-22-10-9(11(23)17-14(22)24)21(4-2)8(16-10)7-25-13-18-12(15)19-20-13/h3-7H2,1-2H3,(H,17,23,24)(H3,15,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay				J Med Chem 59: 1634-41 (2016) BindingDB Entry DOI: 10.7270/Q21N830R
					More data for this Ligand-Target Pair