BDBM25949 dimethyl[2-({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-yl}amino)ethyl]amine::imidazothienopyrazine, 20d

SMILES: CN(C)CCNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1

InChI Key: InChIKey=YEGWKIFISRCWRD-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 = 25949   

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))	BDBM25949 (dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-tria...) Show SMILES CN(C)CCNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1 Show InChI InChI=1S/C19H21N5S/c1-13-12-21-18-17(20-9-10-23(2)3)22-15-11-16(25-19(15)24(13)18)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)	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	95	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))	BDBM25949 (dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-tria...) Show SMILES CN(C)CCNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1 Show InChI InChI=1S/C19H21N5S/c1-13-12-21-18-17(20-9-10-23(2)3)22-15-11-16(25-19(15)24(13)18)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.17E+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