BDBM50044553 CHEMBL3341956

SMILES: CNc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1OC)-c1ccccc1

InChI Key: InChIKey=VNFBTPGRSWAUOB-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 = 50044553   

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
Transcription factor Jun (Homo sapiens (Human))	BDBM50044553 (CHEMBL3341956) Show SMILES CNc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1OC)-c1ccccc1 |(13.7,-39.27,;12.89,-37.97,;11.35,-38.01,;10.49,-39.29,;9.01,-38.86,;8.96,-37.31,;10.41,-36.8,;7.62,-36.55,;6.29,-37.32,;4.95,-36.56,;3.61,-37.33,;2.28,-36.56,;2.28,-35.02,;3.61,-34.25,;4.95,-35.01,;6.27,-34.23,;6.27,-32.69,;7.62,-35,;8.95,-34.23,;10.28,-35,;11.61,-34.22,;11.61,-32.68,;10.26,-31.92,;8.94,-32.69,;7.6,-31.93,;7.59,-30.39,;7.79,-39.8,;6.37,-39.21,;5.15,-40.15,;5.36,-41.68,;6.79,-42.26,;8,-41.32,)| Show InChI InChI=1S/C25H20N4O2S/c1-26-25-28-21(16-10-4-3-5-11-16)22(32-25)23-27-18-13-7-6-12-17(18)24(30)29(23)19-14-8-9-15-20(19)31-2/h3-15H,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of AP-1-mediated transcriptional activation in HEK293 cells by luciferase reporter gene assay				J Med Chem 57: 6930-48 (2014) Article DOI: 10.1021/jm5004733 BindingDB Entry DOI: 10.7270/Q2222WDT
					More data for this Ligand-Target Pair