Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic'   

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
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50459311 (CHEMBL1922604 | FR900098) Show SMILES [Na+].CC(=O)N(O)CCCP(O)([O-])=O Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)/p-1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation in presence of DOXP by UV-visible spectrophotometry				J Med Chem 61: 8847-8858 (2018) BindingDB Entry DOI: 10.7270/Q2S75JZ7
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50459311 (CHEMBL1922604 | FR900098) Show SMILES [Na+].CC(=O)N(O)CCCP(O)([O-])=O Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)/p-1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DXR				J Med Chem 61: 8847-8858 (2018) BindingDB Entry DOI: 10.7270/Q2S75JZ7
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50028309 (FOSMIDOMYCIN SODIUM | Fosmidomycin Sodium) Show SMILES ON(CCCP(O)([O-])=O)C=O Show InChI InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1	PDB UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DXR				J Med Chem 61: 8847-8858 (2018) BindingDB Entry DOI: 10.7270/Q2S75JZ7
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50028309 (FOSMIDOMYCIN SODIUM | Fosmidomycin Sodium) Show SMILES ON(CCCP(O)([O-])=O)C=O Show InChI InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1	PDB UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation in presence of DOXP by UV-visible spectrophotometry				J Med Chem 61: 8847-8858 (2018) BindingDB Entry DOI: 10.7270/Q2S75JZ7
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50459310 (CHEMBL4207168) Show SMILES [Na+].ON(C\C=C\P(O)([O-])=O)C=O Show InChI InChI=1S/C4H8NO5P/c6-4-5(7)2-1-3-11(8,9)10/h1,3-4,7H,2H2,(H2,8,9,10)/p-1/b3-1+	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation in presence of DOXP by UV-visible spectrophotometry				J Med Chem 61: 8847-8858 (2018) BindingDB Entry DOI: 10.7270/Q2S75JZ7
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50445564 (CHEMBL3103256) Show SMILES CC(=O)N(O)CC=CP(O)([O-])=O Show InChI InChI=1S/C5H10NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h2,4,8H,3H2,1H3,(H2,9,10,11)/p-1	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation in presence of DOXP by UV-visible spectrophotometry				J Med Chem 61: 8847-8858 (2018) BindingDB Entry DOI: 10.7270/Q2S75JZ7
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50459307 (CHEMBL4215008) Show SMILES [Na+].CC(C)c1ccc(CON(C\C=C\P(O)([O-])=O)C(C)=O)cc1 Show InChI InChI=1S/C15H22NO5P/c1-12(2)15-7-5-14(6-8-15)11-21-16(13(3)17)9-4-10-22(18,19)20/h4-8,10,12H,9,11H2,1-3H3,(H2,18,19,20)/p-1/b10-4+	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation in presence of DOXP by UV-visible spectrophotometry				J Med Chem 61: 8847-8858 (2018) BindingDB Entry DOI: 10.7270/Q2S75JZ7
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50459312 (CHEMBL4210088) Show SMILES [Na+].CC(ON(C\C=C\P(O)([O-])=O)C(C)=O)c1ccccc1 Show InChI InChI=1S/C13H18NO5P.Na/c1-11(13-7-4-3-5-8-13)19-14(12(2)15)9-6-10-20(16,17)18;/h3-8,10-11H,9H2,1-2H3,(H2,16,17,18);/q;+1/p-1/b10-6+;	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation in presence of DOXP by UV-visible spectrophotometry				J Med Chem 61: 8847-8858 (2018) BindingDB Entry DOI: 10.7270/Q2S75JZ7
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50459308 (CHEMBL4202817) Show SMILES [Na+].CC(=O)N(C\C=C\P(O)([O-])=O)OCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H20NO5P/c1-15(20)19(12-5-13-25(21,22)23)24-14-16-8-10-18(11-9-16)17-6-3-2-4-7-17/h2-11,13H,12,14H2,1H3,(H2,21,22,23)/p-1/b13-5+	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation in presence of DOXP by UV-visible spectrophotometry				J Med Chem 61: 8847-8858 (2018) BindingDB Entry DOI: 10.7270/Q2S75JZ7
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50459309 (CHEMBL4211531) Show SMILES N.N.COC(=O)N(O)C\C=C\P(O)(O)=O Show InChI InChI=1S/C5H10NO6P/c1-12-5(7)6(8)3-2-4-13(9,10)11/h2,4,8H,3H2,1H3,(H2,9,10,11)/b4-2+	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation in presence of DOXP by UV-visible spectrophotometry				J Med Chem 61: 8847-8858 (2018) BindingDB Entry DOI: 10.7270/Q2S75JZ7
					More data for this Ligand-Target Pair