BDBM50343678 CHEMBL1773335::N-(1-(methylsulfonyl)piperidin-4-yl)-4-(4-(piperazin-1-ylsulfonyl)phenyl)pyrimidin-2-amine

SMILES: CS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)-c1ccc(cc1)S(=O)(=O)N1CCNCC1

InChI Key: InChIKey=YHQWZSONZSFYDP-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 = 50343678   

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))	BDBM50343678 (CHEMBL1773335 | N-(1-(methylsulfonyl)piperidin-4-y...) Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)-c1ccc(cc1)S(=O)(=O)N1CCNCC1 Show InChI InChI=1S/C20H28N6O4S2/c1-31(27,28)25-12-7-17(8-13-25)23-20-22-9-6-19(24-20)16-2-4-18(5-3-16)32(29,30)26-14-10-21-11-15-26/h2-6,9,17,21H,7-8,10-15H2,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of IKK2 using 5-FAM-GRHDSGLDSMK-NH2 as substrate by TR-FRET assay				Bioorg Med Chem Lett 21: 3002-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.044 BindingDB Entry DOI: 10.7270/Q22V2GDS
					More data for this Ligand-Target Pair