BDBM50124314 CHEMBL173747::Sodium; 4-{3-[2-amino-3-cyano-6-(2-hydroxy-5-methoxy-phenyl)-pyridin-4-yl]-phenylcarbamoyl}-4-hydroxy-butyrate

SMILES: COc1ccc(O)c(c1)-c1cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c(C#N)c(N)n1

InChI Key: InChIKey=KORUTUXJXONWPV-UHFFFAOYSA-M

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 = 50124314   

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))	BDBM50124314 (CHEMBL173747 | Sodium; 4-{3-[2-amino-3-cyano-6-(2-...) Show SMILES COc1ccc(O)c(c1)-c1cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c(C#N)c(N)n1 Show InChI InChI=1S/C24H22N4O6/c1-34-15-5-6-20(29)17(10-15)19-11-16(18(12-25)23(26)28-19)13-3-2-4-14(9-13)27-24(33)21(30)7-8-22(31)32/h2-6,9-11,21,29-30H,7-8H2,1H3,(H2,26,28)(H,27,33)(H,31,32)/p-1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+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