BDBM50395528 CHEMBL483557

SMILES: Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO

InChI Key: InChIKey=NFGNAZKUHXHPNH-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50395528   

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 alpha (Homo sapiens (Human))	BDBM50395528 (CHEMBL483557) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H17N3O3S/c1-11-10-15-14(6-7-17-16(15)19-11)12-2-4-13(5-3-12)23(21,22)18-8-9-20/h2-7,10,18,20H,8-9H2,1H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK1 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395528 (CHEMBL483557) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H17N3O3S/c1-11-10-15-14(6-7-17-16(15)19-11)12-2-4-13(5-3-12)23(21,22)18-8-9-20/h2-7,10,18,20H,8-9H2,1H3,(H,17,19)	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	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50395528 (CHEMBL483557) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H17N3O3S/c1-11-10-15-14(6-7-17-16(15)19-11)12-2-4-13(5-3-12)23(21,22)18-8-9-20/h2-7,10,18,20H,8-9H2,1H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	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))	BDBM50395528 (CHEMBL483557) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H17N3O3S/c1-11-10-15-14(6-7-17-16(15)19-11)12-2-4-13(5-3-12)23(21,22)18-8-9-20/h2-7,10,18,20H,8-9H2,1H3,(H,17,19)	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	20	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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50395528 (CHEMBL483557) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H17N3O3S/c1-11-10-15-14(6-7-17-16(15)19-11)12-2-4-13(5-3-12)23(21,22)18-8-9-20/h2-7,10,18,20H,8-9H2,1H3,(H,17,19)	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	20	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