BDBM50169028 CHEMBL3805598

SMILES: OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=POFDPQACEBXYOE-OQPYTZTLSA-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 = 50169028   

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-2 (Homo sapiens (Human))	BDBM50169028 (CHEMBL3805598) Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C25H25ClN2O7S/c26-18-10-5-11-19(13-18)36(33,34)27-14-20-22(29)23(30)21(25(32)35-20)28-24(31)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,20-23,25,27,29-30,32H,14H2,(H,28,31)/t20-,21-,22-,23-,25?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...				ACS Med Chem Lett 7: 217-22 (2016) BindingDB Entry DOI: 10.7270/Q2PR7XWW
					More data for this Ligand-Target Pair
Hexokinase type I (Homo sapiens (Human))	BDBM50169028 (CHEMBL3805598) Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C25H25ClN2O7S/c26-18-10-5-11-19(13-18)36(33,34)27-14-20-22(29)23(30)21(25(32)35-20)28-24(31)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,20-23,25,27,29-30,32H,14H2,(H,28,31)/t20-,21-,22-,23-,25?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of His-tagged human HK1 (11 to 917 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...				ACS Med Chem Lett 7: 217-22 (2016) BindingDB Entry DOI: 10.7270/Q2PR7XWW
					More data for this Ligand-Target Pair