BDBM50294680 3-(1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl)benzonitrile::CHEMBL558491

SMILES: CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(c1)C#N

InChI Key: InChIKey=CCWWRYWEYAHFOL-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 = 50294680   

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))	BDBM50294680 (3-(1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5...) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(c1)C#N Show InChI InChI=1S/C17H14N6/c1-19-17-14-15(23(2)9-20-14)12-7-13(21-16(12)22-17)11-5-3-4-10(6-11)8-18/h3-7,9H,1-2H3,(H2,19,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	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 alpha (Homo sapiens (Human))	BDBM50294680 (3-(1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5...) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(c1)C#N Show InChI InChI=1S/C17H14N6/c1-19-17-14-15(23(2)9-20-14)12-7-13(21-16(12)22-17)11-5-3-4-10(6-11)8-18/h3-7,9H,1-2H3,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IKK1-catalyzed phosphorylation of GST-tagged IkappaBalpha fusion protein by fluorescence polarization assay				Bioorg Med Chem Lett 19: 2646-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.159 BindingDB Entry DOI: 10.7270/Q2QF8SX8
					More data for this Ligand-Target Pair