BindingDB PrimarySearch

BDBM50148767 2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrogen phosphate::4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID::CHEMBL116018::Phosphoric acid mono-((1R,3R)-2,3-dihydroxy-3-hydroxycarbamoyl-propyl) ester

SMILES: ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O

InChI Key: InChIKey=JJQQOJRGUHNREK-PWNYCUMCSA-N

Data: 6 KI 1 IC50

PDB links: 7 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50148767
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 (6PGD) (Homo sapiens (Human))	BDBM50148767 (2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...) Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	10	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
6-phosphogluconate dehydrogenase, decarboxylating, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50148767 (2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...) Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	10	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))	BDBM50148767 (2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...) Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.54E+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
6-phosphogluconate dehydrogenase, decarboxylating (Ovis aries)	BDBM50148767 (2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...) Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.54E+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
Ribose-5-phosphate isomerase B (Mycobacterium tuberculosis)	BDBM50148767 (2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...) Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.70E+4	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 Mycobacterium tuberculosis rpiB				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				3D Structure (crystal)
Ribose-5-phosphate isomerase B (Mycobacterium tuberculosis)	BDBM50148767 (2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...) Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.70E+4	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 Mycobacterium tuberculosis rpiB				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				3D Structure (crystal)
Arabinose phosphate isomerase (Francisella tularensis subsp. tularensis)	BDBM50148767 (2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...) Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	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