BDBM50413876 CHEMBL520954

SMILES: CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12

InChI Key: InChIKey=RULRLUFVKXIRNZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50413876   

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 alpha (Homo sapiens (Human))	BDBM50413876 (CHEMBL520954) Show SMILES CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C17H20N4O2S/c1-21(2)12-11-20-24(22,23)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10,20H,11-12H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK1				Bioorg Med Chem Lett 19: 2504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50413876 (CHEMBL520954) Show SMILES CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C17H20N4O2S/c1-21(2)12-11-20-24(22,23)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10,20H,11-12H2,1-2H3,(H,18,19)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2				Bioorg Med Chem Lett 19: 2504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN
					More data for this Ligand-Target Pair