BDBM50395525 CHEMBL2164423

SMILES: CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO

InChI Key: InChIKey=FNMOTKZHZAEQQF-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 = 50395525   

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))	BDBM50395525 (CHEMBL2164423) Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C19H23N3O3S/c1-19(2,3)17-12-16-15(8-9-20-18(16)22-17)13-4-6-14(7-5-13)26(24,25)21-10-11-23/h4-9,12,21,23H,10-11H2,1-3H3,(H,20,22)	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	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))	BDBM50395525 (CHEMBL2164423) Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C19H23N3O3S/c1-19(2,3)17-12-16-15(8-9-20-18(16)22-17)13-4-6-14(7-5-13)26(24,25)21-10-11-23/h4-9,12,21,23H,10-11H2,1-3H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	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