BDBM25928 N-(2-aminoethyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine::imidazothienopyrazine, 13a

SMILES: Cc1cnc2c(NCCN)nc3ccsc3n12

InChI Key: InChIKey=NSSAAAYFAVFGIU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 25928   

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))	BDBM25928 (N-(2-aminoethyl)-12-methyl-3-thia-1,7,10-triazatri...) Show SMILES Cc1cnc2c(NCCN)nc3ccsc3n12 Show InChI InChI=1S/C11H13N5S/c1-7-6-14-10-9(13-4-3-12)15-8-2-5-17-11(8)16(7)10/h2,5-6H,3-4,12H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25928 (N-(2-aminoethyl)-12-methyl-3-thia-1,7,10-triazatri...) Show SMILES Cc1cnc2c(NCCN)nc3ccsc3n12 Show InChI InChI=1S/C11H13N5S/c1-7-6-14-10-9(13-4-3-12)15-8-2-5-17-11(8)16(7)10/h2,5-6H,3-4,12H2,1H3,(H,13,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IKKbeta using TMB as substrate after 30 mins by spectrophotometry				Eur J Med Chem 46: 3942-52 (2011) Article DOI: 10.1016/j.ejmech.2011.05.066 BindingDB Entry DOI: 10.7270/Q2XG9RJH
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25928 (N-(2-aminoethyl)-12-methyl-3-thia-1,7,10-triazatri...) Show SMILES Cc1cnc2c(NCCN)nc3ccsc3n12 Show InChI InChI=1S/C11H13N5S/c1-7-6-14-10-9(13-4-3-12)15-8-2-5-17-11(8)16(7)10/h2,5-6H,3-4,12H2,1H3,(H,13,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair