BDBM25929 N-(2-aminoethyl)-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-amine::imidazothienopyrazine, 13b

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

InChI Key: InChIKey=AAFMUTYTWRBOGE-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 = 25929   

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))	BDBM25929 (N-(2-aminoethyl)-12-methyl-4-phenyl-3-thia-1,7,10-...) Show SMILES Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccccc1 Show InChI InChI=1S/C17H17N5S/c1-11-10-20-16-15(19-8-7-18)21-13-9-14(23-17(13)22(11)16)12-5-3-2-4-6-12/h2-6,9-10H,7-8,18H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	910	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))	BDBM25929 (N-(2-aminoethyl)-12-methyl-4-phenyl-3-thia-1,7,10-...) Show SMILES Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccccc1 Show InChI InChI=1S/C17H17N5S/c1-11-10-20-16-15(19-8-7-18)21-13-9-14(23-17(13)22(11)16)12-5-3-2-4-6-12/h2-6,9-10H,7-8,18H2,1H3,(H,19,21)	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	22	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 GST-IkappaBalpha as substrate				Eur J Med Chem 63: 269-78 (2013) Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25929 (N-(2-aminoethyl)-12-methyl-4-phenyl-3-thia-1,7,10-...) Show SMILES Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccccc1 Show InChI InChI=1S/C17H17N5S/c1-11-10-20-16-15(19-8-7-18)21-13-9-14(23-17(13)22(11)16)12-5-3-2-4-6-12/h2-6,9-10H,7-8,18H2,1H3,(H,19,21)	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	22	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