BDBM50124306 CHEMBL534692::N-{5-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-yl]-2-pyrrolidin-1-yl-phenyl}-3-piperidin-1-yl-propionamide; hydrochloride

SMILES: Nc1nc(cc(-c2ccc(N3CCCC3)c(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O

InChI Key: InChIKey=JZTBWPUQNGBOMD-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 = 50124306   

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))	BDBM50124306 (CHEMBL534692 | N-{5-[2-Amino-3-cyano-6-(2-hydroxy-...) Show SMILES Nc1nc(cc(-c2ccc(N3CCCC3)c(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C30H34N6O2/c31-20-24-23(19-25(34-30(24)32)22-8-2-3-9-28(22)37)21-10-11-27(36-15-6-7-16-36)26(18-21)33-29(38)12-17-35-13-4-1-5-14-35/h2-3,8-11,18-19,37H,1,4-7,12-17H2,(H2,32,34)(H,33,38)	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	1.00E+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