null

SMILES: CC(=O)c1cc2cc(ccc2o1)-c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1

InChI Key: InChIKey=SOCHNXMPMJUKLA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50138386   

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))	BDBM50138386 (1-[5-(4-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyri...) Show SMILES CC(=O)c1cc2cc(ccc2o1)-c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C30H27N5O4S/c1-20(36)29-19-24-18-23(6-11-28(24)39-29)21-2-7-25(8-3-21)33-30-32-13-12-27(34-30)22-4-9-26(10-5-22)40(37,38)35-16-14-31-15-17-35/h2-13,18-19,31H,14-17H2,1H3,(H,32,33,34)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibitory activity against IKK2				Bioorg Med Chem Lett 14: 409-12 (2003) BindingDB Entry DOI: 10.7270/Q2WQ036V
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50138386 (1-[5-(4-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyri...) Show SMILES CC(=O)c1cc2cc(ccc2o1)-c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C30H27N5O4S/c1-20(36)29-19-24-18-23(6-11-28(24)39-29)21-2-7-25(8-3-21)33-30-32-13-12-27(34-30)22-4-9-26(10-5-22)40(37,38)35-16-14-31-15-17-35/h2-13,18-19,31H,14-17H2,1H3,(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibitory activity against IKK1				Bioorg Med Chem Lett 14: 409-12 (2003) BindingDB Entry DOI: 10.7270/Q2WQ036V
					More data for this Ligand-Target Pair