BDBM50149843 2''-Amino-6''-(2-benzyloxy-6-hydroxy-phenyl)-1,2,3,4,5,6-hexahydro-[3,4'']bipyridinyl-3''-carbonitrile::CHEMBL361233

SMILES: Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1OCc1ccccc1

InChI Key: InChIKey=SMBKYSLSHYPLDQ-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 = 50149843   

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))	BDBM50149843 (2''-Amino-6''-(2-benzyloxy-6-hydroxy-phenyl)-1,2,3...) Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1OCc1ccccc1 Show InChI InChI=1S/C24H24N4O2/c25-13-19-18(17-8-5-11-27-14-17)12-20(28-24(19)26)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17,27,29H,5,8,11,14-15H2,(H2,26,28)	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	9.10	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))	BDBM50149843 (2''-Amino-6''-(2-benzyloxy-6-hydroxy-phenyl)-1,2,3...) Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1OCc1ccccc1 Show InChI InChI=1S/C24H24N4O2/c25-13-19-18(17-8-5-11-27-14-17)12-20(28-24(19)26)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17,27,29H,5,8,11,14-15H2,(H2,26,28)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 619-0216 Curated by ChEMBL					Assay Description Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)				Bioorg Med Chem Lett 14: 4019-22 (2004) Article DOI: 10.1016/j.bmcl.2004.05.041 BindingDB Entry DOI: 10.7270/Q2JM293M
					More data for this Ligand-Target Pair