BDBM50358586 CHEMBL1923978

SMILES: CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)C2CC2)n1

InChI Key: InChIKey=YHNJGSISJOHCON-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50358586   

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))	BDBM50358586 (CHEMBL1923978) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)C2CC2)n1 Show InChI InChI=1S/C20H21N7O/c1-21-19-16-17(27(2)10-23-16)13-8-15(25-18(13)26-19)14-5-3-4-12(24-14)9-22-20(28)11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,22,28)(H2,21,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	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 human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair