BindingDB PrimarySearch

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50044692
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50026326 (CHEMBL3305928) Show SMILES CCCCOP(O)(=O)C(C)=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Escherichia coli O127:H6 (strain E2348/69 / EPEC))	BDBM50026326 (CHEMBL3305928) Show SMILES CCCCOP(O)(=O)C(C)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Escherichia coli O127:H6 (strain E2348/69 / EPEC))	BDBM50026312 (CHEMBL3306297) Show SMILES CCOP(O)(=O)C(C)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Escherichia coli O127:H6 (strain E2348/69 / EPEC))	BDBM50026348 (CHEMBL3359030) Show SMILES CC(=O)P(O)(=O)OCc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Haemophilus influenzae (strain 86-028NP))	BDBM50026349 (KETOCLOMAZONE) Show SMILES CC1(C)C(=O)ON(Cc2ccccc2Cl)C1=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Haemophilus influenzae DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50153713 (3-(N-hydroxyformamido)propylphosphonic acid \| 3-[F...) Show SMILES ON(CCCP(O)(O)=O)C=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Dxr				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose-5-phosphate synthase (Haemophilus influenzae (strain 86-028NP))	BDBM50026350 (CHEMBL3359031) Show SMILES CC(C)(C(O)=O)C(=O)N(O)Cc1ccccc1Cl Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Haemophilus influenzae DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Haemophilus influenzae (strain 86-028NP))	BDBM50026351 (CHEMBL3359032) Show SMILES CC(C)(CO)C(=O)N(O)Cc1ccccc1Cl Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Haemophilus influenzae DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50026353 (CHEMBL3139953) Show SMILES ON(CCCP(O)(O)=O)C(=O)CCCc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Dxr				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)	BDBM50373886 (3-Deazathiamine \| CHEMBL401772) Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Deinococcus radiodurans DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)	BDBM50026352 (CHEMBL3359034) Show SMILES FC(F)(F)Oc1cccc(Cn2cnc3ccccc23)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Deinococcus radiodurans DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)	BDBM92962 (ThDP) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity to Deinococcus radiodurans DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM92962 (ThDP) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair