BDBM50343676 4-(4-(4-methylpiperazin-1-ylsulfonyl)phenyl)-N-(piperidin-4-yl)pyrimidin-2-amine::CHEMBL1773331

SMILES: CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1

InChI Key: InChIKey=MTXLCCRNLBNLCE-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 = 50343676   

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))	BDBM50343676 (4-(4-(4-methylpiperazin-1-ylsulfonyl)phenyl)-N-(pi...) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1 Show InChI InChI=1S/C20H28N6O2S/c1-25-12-14-26(15-13-25)29(27,28)18-4-2-16(3-5-18)19-8-11-22-20(24-19)23-17-6-9-21-10-7-17/h2-5,8,11,17,21H,6-7,9-10,12-15H2,1H3,(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	7.02E+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