BDBM50250969 CHEMBL4078743

SMILES: FC(F)(F)c1ccc(cc1)-c1nc2sc3CCCc3c2c(=O)[nH]1

InChI Key: InChIKey=RQRGABXMLLGLLU-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 = 50250969   

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))	BDBM50250969 (CHEMBL4078743) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2sc3CCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C16H11F3N2OS/c17-16(18,19)9-6-4-8(5-7-9)13-20-14(22)12-10-2-1-3-11(10)23-15(12)21-13/h4-7H,1-3H2,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+3	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