BDBM50358588 CHEMBL1923980

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

InChI Key: InChIKey=FLJKYIFRYKRSRM-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 = 50358588   

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))	BDBM50358588 (CHEMBL1923980) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CC(C)C)n1 Show InChI InChI=1S/C21H25N7O/c1-12(2)8-17(29)23-10-13-6-5-7-15(25-13)16-9-14-19-18(24-11-28(19)4)21(22-3)27-20(14)26-16/h5-7,9,11-12H,8,10H2,1-4H3,(H,23,29)(H2,22,26,27)	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	26	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