BDBM50448995 CHEMBL3125733

SMILES: CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1

InChI Key: InChIKey=HDMBYXMYCCLJOL-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 = 50448995   

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 epsilon (Homo sapiens (Human))	BDBM50448995 (CHEMBL3125733) Show SMILES CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C19H16N4O2S/c1-20-19(24)16-8-13(10-26-16)12-7-15-18(21-9-12)23-17(22-15)11-3-5-14(25-2)6-4-11/h3-10H,1-2H3,(H,20,24)(H,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448995 (CHEMBL3125733) Show SMILES CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C19H16N4O2S/c1-20-19(24)16-8-13(10-26-16)12-7-15-18(21-9-12)23-17(22-15)11-3-5-14(25-2)6-4-11/h3-10H,1-2H3,(H,20,24)(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	851	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50448995 (CHEMBL3125733) Show SMILES CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C19H16N4O2S/c1-20-19(24)16-8-13(10-26-16)12-7-15-18(21-9-12)23-17(22-15)11-3-5-14(25-2)6-4-11/h3-10H,1-2H3,(H,20,24)(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 24: 1138-43 (2014) Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87
					More data for this Ligand-Target Pair