BDBM25954 2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethan-1-ol::imidazothienopyrazine, 20i

SMILES: Cc1cnc2c(NCCO)nc3cc(sc3n12)-c1ccccc1

InChI Key: InChIKey=LCYRJHRJWGQPDO-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 = 25954   

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))	BDBM25954 (2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricycl...) Show SMILES Cc1cnc2c(NCCO)nc3cc(sc3n12)-c1ccccc1 Show InChI InChI=1S/C17H16N4OS/c1-11-10-19-16-15(18-7-8-22)20-13-9-14(23-17(13)21(11)16)12-5-3-2-4-6-12/h2-6,9-10,22H,7-8H2,1H3,(H,18,20)	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	85	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
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM25954 (2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricycl...) Show SMILES Cc1cnc2c(NCCO)nc3cc(sc3n12)-c1ccccc1 Show InChI InChI=1S/C17H16N4OS/c1-11-10-19-16-15(18-7-8-22)20-13-9-14(23-17(13)21(11)16)12-5-3-2-4-6-12/h2-6,9-10,22H,7-8H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.48E+3	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