BDBM50207221 CHEMBL3941784

SMILES: CS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3N)cc2)cc1

InChI Key: InChIKey=IORGYFRRDJTHBE-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 = 50207221   

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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50207221 (CHEMBL3941784) Show SMILES CS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3N)cc2)cc1 Show InChI InChI=1S/C23H20N4O3S/c1-31(28,29)19-12-8-17(9-13-19)26-23-25-15-14-21(27-23)16-6-10-18(11-7-16)30-22-5-3-2-4-20(22)24/h2-15H,24H2,1H3,(H,25,26,27)	PDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of IKKbeta (unknown origin)				Eur J Med Chem 123: 544-556 (2016) Article DOI: 10.1016/j.ejmech.2016.07.075 BindingDB Entry DOI: 10.7270/Q2BR8V5X
					More data for this Ligand-Target Pair