BDBM50294861 (+/-)-3-[1-Methyl-2-(methylamino)-2-oxoethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide::CHEMBL559657

SMILES: CNC(=O)C(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1

InChI Key: InChIKey=IHKUIHITJQZGIU-UHFFFAOYSA-N

Data: 2 EC50

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 = 50294861   

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
Hexokinase-4 (Homo sapiens (Human))	BDBM50294861 ((+/-)-3-[1-Methyl-2-(methylamino)-2-oxoethoxy]-5-[...) Show SMILES CNC(=O)C(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C21H21N3O6S2/c1-13(19(25)22-2)29-16-10-14(20(26)24-21-23-8-9-31-21)11-17(12-16)30-15-4-6-18(7-5-15)32(3,27)28/h4-13H,1-3H3,(H,22,25)(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...				Bioorg Med Chem 17: 3800-9 (2009) Article DOI: 10.1016/j.bmc.2009.04.040 BindingDB Entry DOI: 10.7270/Q21R6QJN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50294861 ((+/-)-3-[1-Methyl-2-(methylamino)-2-oxoethoxy]-5-[...) Show SMILES CNC(=O)C(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C21H21N3O6S2/c1-13(19(25)22-2)29-16-10-14(20(26)24-21-23-8-9-31-21)11-17(12-16)30-15-4-6-18(7-5-15)32(3,27)28/h4-13H,1-3H3,(H,22,25)(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...				Bioorg Med Chem 17: 3800-9 (2009) Article DOI: 10.1016/j.bmc.2009.04.040 BindingDB Entry DOI: 10.7270/Q21R6QJN
					More data for this Ligand-Target Pair