BindingDB PrimarySearch

BDBM50148780 ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate::(5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate::CHEMBL324609::Phosphoric acid mono-((R)-(R)-5-hydroxycarbamoyl-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl) ester

SMILES: CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(=O)NO

InChI Key: InChIKey=DVFAQEVWJBLFDS-RFZPGFLSSA-N

Data: 5 KI 1 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50148780
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
6-phosphogluconate dehydrogenase, decarboxylating, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50148780 (((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	35	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 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
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148780 (((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
Cardiff University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphogluconate dehydrogenase, decarboxylating (Ovis aries)	BDBM50148780 (((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of sheep 6PGDH				J Med Chem 53: 6071-8 (2010) Article DOI: 10.1021/jm1004754 BindingDB Entry DOI: 10.7270/Q2Q81D8T
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphogluconate dehydrogenase, decarboxylating (Ovis aries)	BDBM50148780 (((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of sheep 6PGDH expressed in Escherichia coli by spectroscopy				Bioorg Med Chem 18: 5056-62 (2010) Article DOI: 10.1016/j.bmc.2010.05.077 BindingDB Entry DOI: 10.7270/Q2X34ZDH
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50148780 (((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver				J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H
Cardiff University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Arabinose phosphate isomerase (Francisella tularensis subsp. tularensis)	BDBM50148780 (((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Francisella tularensis N-terminal hexahistidine-tagged arabinose phosphate isomerase expressed in Escherichia coli BL21(DE3) after 3 hr...				Bioorg Med Chem Lett 21: 2679-82 (2011) Article DOI: 10.1016/j.bmcl.2010.12.066 BindingDB Entry DOI: 10.7270/Q20C4W2K
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair