Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50004948   

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 (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 (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)	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)	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)	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)	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)	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)	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