BDBM50418173 CHEMBL1761500

SMILES: NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(c1)C#N

InChI Key: InChIKey=XTUGPYDOTAWLHI-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 = 50418173   

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))	BDBM50418173 (CHEMBL1761500) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(c1)C#N Show InChI InChI=1S/C16H11N3O/c17-9-10-2-1-3-11(6-10)13-7-12-4-5-19-15(12)14(8-13)16(18)20/h1-8,19H,(H2,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418173 (CHEMBL1761500) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(c1)C#N Show InChI InChI=1S/C16H11N3O/c17-9-10-2-1-3-11(6-10)13-7-12-4-5-19-15(12)14(8-13)16(18)20/h1-8,19H,(H2,18,20)	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	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair