BDBM25968 3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzoic acid::imidazothienopyrazine, 22l

SMILES: CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(c1)C(O)=O

InChI Key: InChIKey=BZXWGXXSVTXQQR-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 = 25968   

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))	BDBM25968 (3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazat...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H14N4O2S/c1-9-8-19-15-14(18-2)20-12-7-13(24-16(12)21(9)15)10-4-3-5-11(6-10)17(22)23/h3-8H,1-2H3,(H,18,20)(H,22,23)	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	190	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))	BDBM25968 (3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazat...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H14N4O2S/c1-9-8-19-15-14(18-2)20-12-7-13(24-16(12)21(9)15)10-4-3-5-11(6-10)17(22)23/h3-8H,1-2H3,(H,18,20)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+4	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