BDBM50358590 CHEMBL1923982

SMILES: CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)c2csnn2)n1

InChI Key: InChIKey=PFMNWZWEGMGUSI-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 = 50358590   

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))	BDBM50358590 (CHEMBL1923982) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)c2csnn2)n1 Show InChI InChI=1S/C19H17N9OS/c1-20-18-15-16(28(2)9-22-15)11-6-13(24-17(11)25-18)12-5-3-4-10(23-12)7-21-19(29)14-8-30-27-26-14/h3-6,8-9H,7H2,1-2H3,(H,21,29)(H2,20,24,25)	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	28	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