BDBM50358598 CHEMBL1921823

SMILES: CNC(=O)N(C)Cc1cccc(n1)-c1cc2c(nc(NC)c3ncn(C)c23)[nH]1

InChI Key: InChIKey=YPCIUWWEHGOPNN-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 = 50358598   

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))	BDBM50358598 (CHEMBL1921823) Show SMILES CNC(=O)N(C)Cc1cccc(n1)-c1cc2c(nc(NC)c3ncn(C)c23)[nH]1 Show InChI InChI=1S/C19H22N8O/c1-20-18-15-16(27(4)10-22-15)12-8-14(24-17(12)25-18)13-7-5-6-11(23-13)9-26(3)19(28)21-2/h5-8,10H,9H2,1-4H3,(H,21,28)(H2,20,24,25)	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	5.70	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