BDBM50413884 CHEMBL483166

SMILES: CN(C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12

InChI Key: InChIKey=JVYHBYVCMJECCB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50413884   

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))	BDBM50413884 (CHEMBL483166) Show SMILES CN(C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12 Show InChI InChI=1S/C20H23N3O4S2/c1-14-13-19-18(7-10-21-20(19)22-14)15-3-5-17(6-4-15)29(26,27)23(2)16-8-11-28(24,25)12-9-16/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,22)	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	40	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 alpha (Homo sapiens (Human))	BDBM50413884 (CHEMBL483166) Show SMILES CN(C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12 Show InChI InChI=1S/C20H23N3O4S2/c1-14-13-19-18(7-10-21-20(19)22-14)15-3-5-17(6-4-15)29(26,27)23(2)16-8-11-28(24,25)12-9-16/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK1				Bioorg Med Chem Lett 19: 2504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50413884 (CHEMBL483166) Show SMILES CN(C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12 Show InChI InChI=1S/C20H23N3O4S2/c1-14-13-19-18(7-10-21-20(19)22-14)15-3-5-17(6-4-15)29(26,27)23(2)16-8-11-28(24,25)12-9-16/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,22)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2				Bioorg Med Chem Lett 19: 2504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN
					More data for this Ligand-Target Pair