BDBM50302181 3-amino-6-(4-(dimethylamino)piperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide::CHEMBL570048

SMILES: CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(CC1)N(C)C

InChI Key: InChIKey=LEYKXJUYOZOHRU-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 = 50302181   

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))	BDBM50302181 (3-amino-6-(4-(dimethylamino)piperidin-1-yl)-4-prop...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(CC1)N(C)C Show InChI InChI=1S/C18H27N5OS/c1-4-5-11-10-13(23-8-6-12(7-9-23)22(2)3)21-18-14(11)15(19)16(25-18)17(20)24/h10,12H,4-9,19H2,1-3H3,(H2,20,24)	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	680	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair