Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 402.5 BDBM50343674

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50343674 (4-(4-(piperazin-1-ylsulfonyl)phenyl)-N-(piperidin-...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1 Show InChI InChI=1S/C19H26N6O2S/c26-28(27,25-13-11-21-12-14-25)17-3-1-15(2-4-17)18-7-10-22-19(24-18)23-16-5-8-20-9-6-16/h1-4,7,10,16,20-21H,5-6,8-9,11-14H2,(H,22,23,24)	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of IKK2 using 5-FAM-GRHDSGLDSMK-NH2 as substrate by TR-FRET assay				Bioorg Med Chem Lett 21: 3002-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.044 BindingDB Entry DOI: 10.7270/Q22V2GDS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50343674 (4-(4-(piperazin-1-ylsulfonyl)phenyl)-N-(piperidin-...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1 Show InChI InChI=1S/C19H26N6O2S/c26-28(27,25-13-11-21-12-14-25)17-3-1-15(2-4-17)18-7-10-22-19(24-18)23-16-5-8-20-9-6-16/h1-4,7,10,16,20-21H,5-6,8-9,11-14H2,(H,22,23,24)	PDB MMDB 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	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of JNK1				Bioorg Med Chem Lett 21: 3002-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.044 BindingDB Entry DOI: 10.7270/Q22V2GDS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM50343674 (4-(4-(piperazin-1-ylsulfonyl)phenyl)-N-(piperidin-...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1 Show InChI InChI=1S/C19H26N6O2S/c26-28(27,25-13-11-21-12-14-25)17-3-1-15(2-4-17)18-7-10-22-19(24-18)23-16-5-8-20-9-6-16/h1-4,7,10,16,20-21H,5-6,8-9,11-14H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of p38beta				Bioorg Med Chem Lett 21: 3002-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.044 BindingDB Entry DOI: 10.7270/Q22V2GDS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50343674 (4-(4-(piperazin-1-ylsulfonyl)phenyl)-N-(piperidin-...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1 Show InChI InChI=1S/C19H26N6O2S/c26-28(27,25-13-11-21-12-14-25)17-3-1-15(2-4-17)18-7-10-22-19(24-18)23-16-5-8-20-9-6-16/h1-4,7,10,16,20-21H,5-6,8-9,11-14H2,(H,22,23,24)	PDB MMDB 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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 21: 3002-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.044 BindingDB Entry DOI: 10.7270/Q22V2GDS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50343674 (4-(4-(piperazin-1-ylsulfonyl)phenyl)-N-(piperidin-...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1 Show InChI InChI=1S/C19H26N6O2S/c26-28(27,25-13-11-21-12-14-25)17-3-1-15(2-4-17)18-7-10-22-19(24-18)23-16-5-8-20-9-6-16/h1-4,7,10,16,20-21H,5-6,8-9,11-14H2,(H,22,23,24)	PDB MMDB 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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of JNK2				Bioorg Med Chem Lett 21: 3002-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.044 BindingDB Entry DOI: 10.7270/Q22V2GDS
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50343674 (4-(4-(piperazin-1-ylsulfonyl)phenyl)-N-(piperidin-...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1 Show InChI InChI=1S/C19H26N6O2S/c26-28(27,25-13-11-21-12-14-25)17-3-1-15(2-4-17)18-7-10-22-19(24-18)23-16-5-8-20-9-6-16/h1-4,7,10,16,20-21H,5-6,8-9,11-14H2,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 21: 3002-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.044 BindingDB Entry DOI: 10.7270/Q22V2GDS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50343674 (4-(4-(piperazin-1-ylsulfonyl)phenyl)-N-(piperidin-...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1 Show InChI InChI=1S/C19H26N6O2S/c26-28(27,25-13-11-21-12-14-25)17-3-1-15(2-4-17)18-7-10-22-19(24-18)23-16-5-8-20-9-6-16/h1-4,7,10,16,20-21H,5-6,8-9,11-14H2,(H,22,23,24)	PDB MMDB 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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 21: 3002-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.044 BindingDB Entry DOI: 10.7270/Q22V2GDS
					More data for this Ligand-Target Pair