null

SMILES: CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCS(=O)(=O)CC1)S(=O)(=O)c1cccs1)C(F)(F)F

InChI Key: InChIKey=IAEOBDLQHSKOCI-ZQRQZVKFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50447290   

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 (Mus musculus (Mouse))	BDBM50447290 (CHEMBL3113982) Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCS(=O)(=O)CC1)S(=O)(=O)c1cccs1)C(F)(F)F |r| Show InChI InChI=1S/C22H28F3N3O5S3/c1-21(29,22(23,24)25)17-4-6-18(7-5-17)28-9-8-27(36(32,33)20-3-2-12-34-20)16-19(28)15-26-10-13-35(30,31)14-11-26/h2-7,12,19,29H,8-11,13-16H2,1H3/t19-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...				J Med Chem 57: 325-38 (2014) Article DOI: 10.1021/jm4016747 BindingDB Entry DOI: 10.7270/Q2Q241Q5
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50447290 (CHEMBL3113982) Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCS(=O)(=O)CC1)S(=O)(=O)c1cccs1)C(F)(F)F |r| Show InChI InChI=1S/C22H28F3N3O5S3/c1-21(29,22(23,24)25)17-4-6-18(7-5-17)28-9-8-27(36(32,33)20-3-2-12-34-20)16-19(28)15-26-10-13-35(30,31)14-11-26/h2-7,12,19,29H,8-11,13-16H2,1H3/t19-,21?/m0/s1	PDB MMDB 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	343	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...				J Med Chem 57: 325-38 (2014) Article DOI: 10.1021/jm4016747 BindingDB Entry DOI: 10.7270/Q2Q241Q5
					More data for this Ligand-Target Pair