BDBM50372523 CHEMBL402638

SMILES: Cc1ccc2cccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c2n1

InChI Key: InChIKey=CGNPJXAKYVYRST-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 50372523   

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
I-kappa-B-alpha (Homo sapiens (Human))	BDBM50372523 (CHEMBL402638) Show SMILES Cc1ccc2cccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H13N3O4S/c1-11-8-9-12-4-2-7-15(16(12)17-11)18-24(22,23)14-6-3-5-13(10-14)19(20)21/h2-10,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay				Bioorg Med Chem Lett 18: 329-35 (2008) Article DOI: 10.1016/j.bmcl.2007.10.100 BindingDB Entry DOI: 10.7270/Q2348M63
					More data for this Ligand-Target Pair
I-kappa-B-alpha (Homo sapiens (Human))	BDBM50372523 (CHEMBL402638) Show SMILES Cc1ccc2cccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H13N3O4S/c1-11-8-9-12-4-2-7-15(16(12)17-11)18-24(22,23)14-6-3-5-13(10-14)19(20)21/h2-10,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Induction of human IkappaBalpha stabilization in OCI-Ly3 cells assessed as ratio of green light emiting IkappaBalpha-fused luciferase expression to r...				Bioorg Med Chem Lett 18: 329-35 (2008) Article DOI: 10.1016/j.bmcl.2007.10.100 BindingDB Entry DOI: 10.7270/Q2348M63
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM50372523 (CHEMBL402638) Show SMILES Cc1ccc2cccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H13N3O4S/c1-11-8-9-12-4-2-7-15(16(12)17-11)18-24(22,23)14-6-3-5-13(10-14)19(20)21/h2-10,18H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of TNF-alpha-stimulated human NF-kappaB p65 RelA subunit nuclear translocation in HUVEC				Bioorg Med Chem Lett 18: 329-35 (2008) Article DOI: 10.1016/j.bmcl.2007.10.100 BindingDB Entry DOI: 10.7270/Q2348M63
					More data for this Ligand-Target Pair