BDBM50302176 CHEMBL570267::methyl 1-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidine-4-carboxylate

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

InChI Key: InChIKey=JQCZXEBWLPHDIM-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 = 50302176   

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))	BDBM50302176 (CHEMBL570267 | methyl 1-(3-amino-2-carbamoyl-4-pro...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(CC1)C(=O)OC Show InChI InChI=1S/C18H24N4O3S/c1-3-4-11-9-12(22-7-5-10(6-8-22)18(24)25-2)21-17-13(11)14(19)15(26-17)16(20)23/h9-10H,3-8,19H2,1-2H3,(H2,20,23)	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	7.80E+3	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