BDBM50395527 CHEMBL2164420

SMILES: OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F

InChI Key: InChIKey=CHZVFENZCVWBMI-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 = 50395527   

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))	BDBM50395527 (CHEMBL2164420) Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F Show InChI InChI=1S/C16H14F3N3O3S/c17-16(18,19)14-9-13-12(5-6-20-15(13)22-14)10-1-3-11(4-2-10)26(24,25)21-7-8-23/h1-6,9,21,23H,7-8H2,(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	15.8	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))	BDBM50395527 (CHEMBL2164420) Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F Show InChI InChI=1S/C16H14F3N3O3S/c17-16(18,19)14-9-13-12(5-6-20-15(13)22-14)10-1-3-11(4-2-10)26(24,25)21-7-8-23/h1-6,9,21,23H,7-8H2,(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	200	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