BindingDB PrimarySearch

BDBM50330433 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate::CHEMBL1236228::N-(4-hydroxybutyl)-glycolohydroxamicacid bis-phosphate

SMILES: ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O

InChI Key: InChIKey=GZQWGEFAYHQQKX-UHFFFAOYSA-N

Data: 2 KI 5 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50330433
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
Fructose-bisphosphate aldolase (Candida albicans)	BDBM50330433 (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Paris-Sud University Curated by ChEMBL					Assay Description Inhibition of Candida albicans zinc dependent class 2 Fba				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
Paris-Sud University Curated by ChEMBL					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase (Candida albicans)	BDBM50330433 (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Paris-Sud University Curated by ChEMBL					Assay Description Inhibition of Candida albicans zinc dependent class 2 Fba				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
Paris-Sud University Curated by ChEMBL					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase class II (Yersinia pestis)	BDBM50330433 (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Paris-Sud University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis zinc dependent class 2 Fba expressed in Escherichia coli BL21(DE3)				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
Paris-Sud University Curated by ChEMBL					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA) (Mycobacterium tuberculosis (strain H37Rv))	BDBM50330433 (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Paris-Sud University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis zinc dependent class 2 Fba				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
Paris-Sud University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-bisphosphate aldolase (Helicobacter pylori)	BDBM50330433 (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Paris-Sud University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
Paris-Sud University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-bisphosphate aldolase A (Oryctolagus cuniculus)	BDBM50330433 (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Paris-Sud University Curated by ChEMBL					Assay Description Inhibition of rabbit muscle zinc dependent class 1 Fba expressed in Escherichia coli				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
Paris-Sud University Curated by ChEMBL					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase (Candida albicans)	BDBM50330433 (4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...) Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Paris-Sud University Curated by ChEMBL					Assay Description Inhibition of Candida albicans zinc dependent class 2 Fba				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
Paris-Sud University Curated by ChEMBL					More data for this Ligand-Target Pair