BDBM50124330 3-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-yl]-N-(2-piperidin-1-yl-ethyl)-benzamide::CHEMBL174140

SMILES: Nc1nc(cc(-c2cccc(c2)C(=O)NCCN2CCCCC2)c1C#N)-c1ccccc1O

InChI Key: InChIKey=IIUWLYVYJPBLIA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50124330   

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))	BDBM50124330 (3-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-...) Show SMILES Nc1nc(cc(-c2cccc(c2)C(=O)NCCN2CCCCC2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-25(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)26(33)29-11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33)	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	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate				Eur J Med Chem 63: 269-78 (2013) Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50124330 (3-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-...) Show SMILES Nc1nc(cc(-c2cccc(c2)C(=O)NCCN2CCCCC2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-25(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)26(33)29-11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 619-0216 Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta)				Bioorg Med Chem Lett 13: 913-8 (2003) BindingDB Entry DOI: 10.7270/Q2TM7BP1
					More data for this Ligand-Target Pair