Marvin 2D Structure

Wt: 261.1 BDBM50342610

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucose-6-phosphate isomerase (Oryctolagus cuniculus)	BDBM50342610 ((2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo...) Show SMILES ONC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of rabbit cytosolic phosphoglucose isomerase				Bioorg Med Chem Lett 21: 2679-82 (2011) Article DOI: 10.1016/j.bmcl.2010.12.066 BindingDB Entry DOI: 10.7270/Q20C4W2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphogluconate dehydrogenase, decarboxylating (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50342610 ((2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo...) Show SMILES ONC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase				Bioorg Med Chem Lett 21: 2679-82 (2011) Article DOI: 10.1016/j.bmcl.2010.12.066 BindingDB Entry DOI: 10.7270/Q20C4W2K
					More data for this Ligand-Target Pair