BDBM25926 N-(2-aminoethyl)-12-methyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine::benzimidazoquinoline analogue, 18b

SMILES: Cn1cnc2c(NCCN)nc3cc4ccccc4cc3c12

InChI Key: InChIKey=AKFPEKVULJCIRV-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 = 25926   

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))	BDBM25926 (N-(2-aminoethyl)-12-methyl-12,14,17-triazatetracyc...) Show SMILES Cn1cnc2c(NCCN)nc3cc4ccccc4cc3c12 Show InChI InChI=1S/C17H17N5/c1-22-10-20-15-16(22)13-8-11-4-2-3-5-12(11)9-14(13)21-17(15)19-7-6-18/h2-5,8-10H,6-7,18H2,1H3,(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	58	n/a	n/a	n/a	n/a	8.0	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: 1233-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.017 BindingDB Entry DOI: 10.7270/Q2V40SJF
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM25926 (N-(2-aminoethyl)-12-methyl-12,14,17-triazatetracyc...) Show SMILES Cn1cnc2c(NCCN)nc3cc4ccccc4cc3c12 Show InChI InChI=1S/C17H17N5/c1-22-10-20-15-16(22)13-8-11-4-2-3-5-12(11)9-14(13)21-17(15)19-7-6-18/h2-5,8-10H,6-7,18H2,1H3,(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	1.60E+3	n/a	n/a	n/a	n/a	8.0	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: 1233-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.017 BindingDB Entry DOI: 10.7270/Q2V40SJF
					More data for this Ligand-Target Pair