Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with Target = '4-hydroxy-3-methylbut-2-enyl diphosphate reductase'   

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
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487150 (BUT-3-YNYL DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCC#C Show InChI InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h1H,3-4H2,(H,8,9)(H2,5,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Pseudomonas aeruginosa)	BDBM228817 (IspH inhibitor, 8) Show SMILES CCN1CCN2C(C1)C1(Cc3cc(N)ccc23)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C17H21N5O3/c1-2-21-5-6-22-12-4-3-11(18)7-10(12)8-17(13(22)9-21)14(23)19-16(25)20-15(17)24/h3-4,7,13H,2,5-6,8-9,18H2,1H3,(H2,19,20,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois					Assay Description In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and...				Chembiochem 18: 914-920 (2017) Article DOI: 10.1002/cbic.201700052 BindingDB Entry DOI: 10.7270/Q27S7MNB
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM228818 (8-Amino-3-benzyl-2,3,4,4 a-tetrahydro-1,2'H,6H...) Show SMILES Nc1ccc2N3CCN(Cc4ccccc4)CC3C3(Cc2c1)C(=O)NC(=O)NC3=O Show InChI InChI=1S/C22H23N5O3/c23-16-6-7-17-15(10-16)11-22(19(28)24-21(30)25-20(22)29)18-13-26(8-9-27(17)18)12-14-4-2-1-3-5-14/h1-7,10,18H,8-9,11-13,23H2,(H2,24,25,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois					Assay Description In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and...				Chembiochem 18: 914-920 (2017) Article DOI: 10.1002/cbic.201700052 BindingDB Entry DOI: 10.7270/Q27S7MNB
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487149 (PYRIDIN-3-YL-ETHYL-DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCc1cccnc1 Show InChI InChI=1S/C7H11NO7P2/c9-16(10,11)15-17(12,13)14-5-3-7-2-1-4-8-6-7/h1-2,4,6H,3,5H2,(H,12,13)(H2,9,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Escherichia coli (Enterobacteria))	BDBM228818 (8-Amino-3-benzyl-2,3,4,4 a-tetrahydro-1,2'H,6H...) Show SMILES Nc1ccc2N3CCN(Cc4ccccc4)CC3C3(Cc2c1)C(=O)NC(=O)NC3=O Show InChI InChI=1S/C22H23N5O3/c23-16-6-7-17-15(10-16)11-22(19(28)24-21(30)25-20(22)29)18-13-26(8-9-27(17)18)12-14-4-2-1-3-5-14/h1-7,10,18H,8-9,11-13,23H2,(H2,24,25,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois					Assay Description In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and...				Chembiochem 18: 914-920 (2017) Article DOI: 10.1002/cbic.201700052 BindingDB Entry DOI: 10.7270/Q27S7MNB
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487150 (BUT-3-YNYL DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCC#C Show InChI InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h1H,3-4H2,(H,8,9)(H2,5,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487160 (PENT-4-YNYL DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCCC#C Show InChI InChI=1S/C5H10O7P2/c1-2-3-4-5-11-14(9,10)12-13(6,7)8/h1H,3-5H2,(H,9,10)(H2,6,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487156 (PROP-2-YNYL DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCC#C Show InChI InChI=1S/C3H6O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h1H,3H2,(H,7,8)(H2,4,5,6)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487149 (PYRIDIN-3-YL-ETHYL-DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCc1cccnc1 Show InChI InChI=1S/C7H11NO7P2/c9-16(10,11)15-17(12,13)14-5-3-7-2-1-4-8-6-7/h1-2,4,6H,3,5H2,(H,12,13)(H2,9,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487155 (4-HYDROXYBUT-2-YNYL DIPHOSPHATE) Show SMILES OCC#CCOP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/C4H8O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h5H,3-4H2,(H,9,10)(H2,6,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487157 (CHEMBL2251817) Show SMILES OP(O)(=O)OP(O)(=O)OCc1cccnc1 Show InChI InChI=1S/C6H9NO7P2/c8-15(9,10)14-16(11,12)13-5-6-2-1-3-7-4-6/h1-4H,5H2,(H,11,12)(H2,8,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487159 (2-CYANOETHYL DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCC#N Show InChI InChI=1S/C3H7NO7P2/c4-2-1-3-10-13(8,9)11-12(5,6)7/h1,3H2,(H,8,9)(H2,5,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50113291 ((4-methylpyridin-2-ylamino)methylenediphosphonic a...) Show SMILES Cc1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C7H12N2O6P2/c1-5-2-3-8-6(4-5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487161 ((PYRIDIN-4-YL)-METHYL-DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCc1ccncc1 Show InChI InChI=1S/C6H9NO7P2/c8-15(9,10)14-16(11,12)13-5-6-1-3-7-4-2-6/h1-4H,5H2,(H,11,12)(H2,8,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487148 (CYANOMETHYL DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCC#N Show InChI InChI=1S/C2H5NO7P2/c3-1-2-9-12(7,8)10-11(4,5)6/h2H2,(H,7,8)(H2,4,5,6)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487151 (PYRIDIN-3-YL-PROPYL-DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCCc1cccnc1 Show InChI InChI=1S/C8H13NO7P2/c10-17(11,12)16-18(13,14)15-6-2-4-8-3-1-5-9-7-8/h1,3,5,7H,2,4,6H2,(H,13,14)(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50098378 ((1-Hydroxy-1-phosphono-2-pyridin-2-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccccn1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50165342 (CHEMBL193356 | hydrogen 1-hydroxy-2-(3-methylpyrid...) Show SMILES Cc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C8H13NO7P2/c1-7-3-2-4-9(5-7)6-8(10,17(11,12)13)18(14,15)16/h2-5,10H,6H2,1H3,(H3-,11,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50115106 (2-(pyridin-2-ylamino)ethane-1,1-diyldiphosphonic a...) Show SMILES OP(O)(=O)C(CNc1ccccn1)P(O)(O)=O Show InChI InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487154 (CHEMBL2251815) Show SMILES OP(O)(=O)CP(O)(=O)OCC#C Show InChI InChI=1S/C4H8O6P2/c1-2-3-10-12(8,9)4-11(5,6)7/h1H,3-4H2,(H,8,9)(H2,5,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50373099 (CHEMBL99553 | NE-10575) Show SMILES C[n+]1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C8H13NO7P2/c1-9-4-2-3-7(6-9)5-8(10,17(11,12)13)18(14,15)16/h2-4,6,10H,5H2,1H3,(H3-,11,12,13,14,15,16)/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487153 (CHEMBL2251816) Show SMILES CC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H13NO6P2/c1-8(16(10,11)12,17(13,14)15)5-7-3-2-4-9-6-7/h2-4,6H,5H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM12576 (Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50138725 ((1-phosphono-2-pyridin-3-yl-ethyl)-phosphonic acid...) Show SMILES OP(O)(=O)C(Cc1cccnc1)P(O)(O)=O Show InChI InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)4-6-2-1-3-8-5-6/h1-3,5,7H,4H2,(H2,9,10,11)(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487158 ((PYRIDIN-2-YL)-METHYL-DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCc1ccccn1 Show InChI InChI=1S/C6H9NO7P2/c8-15(9,10)14-16(11,12)13-5-6-3-1-2-4-7-6/h1-4H,5H2,(H,11,12)(H2,8,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487152 (CHEMBL2251820) Show SMILES OP(O)(=O)OP(O)(=O)OCc1ccc(Cl)nc1 Show InChI InChI=1S/C6H8ClNO7P2/c7-6-2-1-5(3-8-6)4-14-17(12,13)15-16(9,10)11/h1-3H,4H2,(H,12,13)(H2,9,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair