BDBM50030913 CHEMBL3356554

SMILES: CCOC(=O)CNc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C

InChI Key: InChIKey=MIGPDXOBNHUZMV-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 = 50030913   

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))	BDBM50030913 (CHEMBL3356554) Show SMILES CCOC(=O)CNc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C21H21N5O3/c1-4-28-18(27)12-23-21-20(24-17-11-22-9-10-26(17)21)16-7-5-15(6-8-16)19-13(2)25-29-14(19)3/h5-11,23H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair