BDBM25977 2-amino-N-ethyl-3-{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]phenyl}propanamide::imidazothienopyrazine, 22u

SMILES: CCNC(=O)C(N)Cc1cccc(c1)-c1cc2nc(NC)c3ncc(C)n3c2s1

InChI Key: InChIKey=PPTMHEJDLKABRA-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 = 25977   

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))	BDBM25977 (2-amino-N-ethyl-3-{3-[12-methyl-8-(methylamino)-3-...) Show SMILES CCNC(=O)C(N)Cc1cccc(c1)-c1cc2nc(NC)c3ncc(C)n3c2s1 Show InChI InChI=1S/C21H24N6OS/c1-4-24-20(28)15(22)9-13-6-5-7-14(8-13)17-10-16-21(29-17)27-12(2)11-25-19(27)18(23-3)26-16/h5-8,10-11,15H,4,9,22H2,1-3H3,(H,23,26)(H,24,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	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))	BDBM25977 (2-amino-N-ethyl-3-{3-[12-methyl-8-(methylamino)-3-...) Show SMILES CCNC(=O)C(N)Cc1cccc(c1)-c1cc2nc(NC)c3ncc(C)n3c2s1 Show InChI InChI=1S/C21H24N6OS/c1-4-24-20(28)15(22)9-13-6-5-7-14(8-13)17-10-16-21(29-17)27-12(2)11-25-19(27)18(23-3)26-16/h5-8,10-11,15H,4,9,22H2,1-3H3,(H,23,26)(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	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