BDBM25937 N-(2-aminoethyl)-12-methyl-4-(pyridin-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine::imidazothienopyrazine, 13j

SMILES: Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccncc1

InChI Key: InChIKey=WGAHFQXOZMANNK-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 = 25937   

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))	BDBM25937 (N-(2-aminoethyl)-12-methyl-4-(pyridin-4-yl)-3-thia...) Show SMILES Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccncc1 Show InChI InChI=1S/C16H16N6S/c1-10-9-20-15-14(19-7-4-17)21-12-8-13(23-16(12)22(10)15)11-2-5-18-6-3-11/h2-3,5-6,8-9H,4,7,17H2,1H3,(H,19,21)	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	270	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))	BDBM25937 (N-(2-aminoethyl)-12-methyl-4-(pyridin-4-yl)-3-thia...) Show SMILES Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccncc1 Show InChI InChI=1S/C16H16N6S/c1-10-9-20-15-14(19-7-4-17)21-12-8-13(23-16(12)22(10)15)11-2-5-18-6-3-11/h2-3,5-6,8-9H,4,7,17H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+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