Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'niggeweg' and Initial = 'r'   

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
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic (Arabidopsis thaliana)	BDBM50488598 (CHEMBL2289489) Show SMILES Oc1c(Cc2ccccc2)c(Cl)nc2c(cnn12)C#N Show InChI InChI=1S/C14H9ClN4O/c15-12-11(6-9-4-2-1-3-5-9)14(20)19-13(18-12)10(7-16)8-17-19/h1-5,8,20H,6H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana IspD				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose-5-phosphate synthase, chloroplastic (Arabidopsis thaliana)	BDBM50026349 (KETOCLOMAZONE) Show SMILES CC1(C)C(=O)ON(Cc2ccccc2Cl)C1=O Show InChI InChI=1S/C12H12ClNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana N-terminal GST-tagged DXS expressed in Escherichia coli BL21 GOLD (DE) using glyceraldehydephosphate and pyruvate ...				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic (Arabidopsis thaliana)	BDBM50153713 (3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...) Show SMILES ON(CCCP(O)(O)=O)C=O Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana IspC expressed in Escherichia coli after 40 min by spectrophotometric analysis				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic (Arabidopsis thaliana)	BDBM50488594 (CHEMBL2289491) Show SMILES Oc1c(Cc2ccccc2)c(Cl)nc2ncnn12 Show InChI InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7,18H,6H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana IspD				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair				3D Structure (crystal)
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Escherichia coli (strain K12))	BDBM50488597 (CHEMBL2289488) Show SMILES OC(=O)C(F)(F)F.Nc1ccn([C@@H]2O[C@H](CNC(=O)CCc3nc4ccccc4[nH]3)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C19H22N6O5.C2HF3O2/c20-13-7-8-25(19(29)24-13)18-17(28)16(27)12(30-18)9-21-15(26)6-5-14-22-10-3-1-2-4-11(10)23-14;3-2(4,5)1(6)7/h1-4,7-8,12,16-18,27-28H,5-6,9H2,(H,21,26)(H,22,23)(H2,20,24,29);(H,6,7)/t12-,16-,17-,18-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Escherichia coli IspE by spectrophotometric analysis				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic (Arabidopsis thaliana)	BDBM50488599 (CHEMBL2289492) Show SMILES COc1ccc2nc(NC(=O)c3cc(n[nH]3)-c3ccccc3O)sc2c1 Show InChI InChI=1S/C18H14N4O3S/c1-25-10-6-7-12-16(8-10)26-18(19-12)20-17(24)14-9-13(21-22-14)11-4-2-3-5-15(11)23/h2-9,23H,1H3,(H,21,22)(H,19,20,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana IspD				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, chloroplastic (Arabidopsis thaliana)	BDBM50488587 (CHEMBL2289486) Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2C1c1ccc(OC)cc1 |c:5,t:8| Show InChI InChI=1S/C24H20Br2N2O5S/c1-4-33-23(31)19-12(2)27-24-28(20(19)14-5-7-15(32-3)8-6-14)22(30)18(34-24)11-13-9-16(25)21(29)17(26)10-13/h5-11,20,29H,4H2,1-3H3/b18-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana IspF expressed in Escherichia coli XL1-Blue after 30 min by spectrophotometric analysis				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic (Arabidopsis thaliana)	BDBM50488592 (CHEMBL2289493) Show SMILES COc1ccc2nc(NC(=O)COc3ccc(cc3)-c3ccccc3)sc2c1 Show InChI InChI=1S/C22H18N2O3S/c1-26-18-11-12-19-20(13-18)28-22(23-19)24-21(25)14-27-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana IspD				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, chloroplastic/chromoplastic (Solanum lycopersicum)	BDBM50488593 (CHEMBL2289487) Show SMILES NC1=N\C(=N/NC(=O)c2cc(Cl)ccn2)c2ccc3ccccc3c12 |t:1| Show InChI InChI=1S/C18H12ClN5O/c19-11-7-8-21-14(9-11)18(25)24-23-17-13-6-5-10-3-1-2-4-12(10)15(13)16(20)22-17/h1-9H,(H,24,25)(H2,20,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Solanum lycopersicum (tomato) IspE				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase, chloroplastic (Arabidopsis thaliana)	BDBM50488590 (CHEMBL526942 | TCMDC-125235) Show SMILES COc1ccc(-c2onc(c2-c2ccc(Br)cc2)C(F)(F)F)c(O)c1 Show InChI InChI=1S/C17H11BrF3NO3/c1-24-11-6-7-12(13(23)8-11)15-14(9-2-4-10(18)5-3-9)16(22-25-15)17(19,20)21/h2-8,23H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana N-terminal GST-tagged DXS expressed in Escherichia coli BL21 GOLD (DE) using glyceraldehydephosphate and pyruvate ...				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase, chloroplastic (Arabidopsis thaliana)	BDBM50488588 (CHEMBL2289498) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=N\Nc2nc3ccccc3s2)o1 Show InChI InChI=1S/C19H13N3O3S/c23-18(24)13-7-5-12(6-8-13)16-10-9-14(25-16)11-20-22-19-21-15-3-1-2-4-17(15)26-19/h1-11H,(H,21,22)(H,23,24)/b20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana N-terminal GST-tagged DXS expressed in Escherichia coli BL21 GOLD (DE) using glyceraldehydephosphate and pyruvate ...				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic (Arabidopsis thaliana)	BDBM50488586 (CHEMBL2289494) Show SMILES CC(C)Nc1nc(Nc2ccccc2)nc(Cl)c1-c1c(F)cccc1Cl |(7.17,-36.25,;7.17,-34.71,;5.84,-33.94,;8.51,-33.94,;8.51,-32.4,;7.17,-31.63,;7.18,-30.08,;5.84,-29.31,;5.84,-27.77,;7.18,-27.01,;7.18,-25.47,;5.85,-24.7,;4.51,-25.48,;4.51,-27.01,;8.5,-29.31,;9.84,-30.08,;11.17,-29.3,;9.85,-31.63,;11.17,-32.39,;11.17,-33.94,;9.84,-34.71,;12.51,-34.7,;13.84,-33.93,;13.83,-32.38,;12.5,-31.62,;12.49,-30.08,)| Show InChI InChI=1S/C19H17Cl2FN4/c1-11(2)23-18-16(15-13(20)9-6-10-14(15)22)17(21)25-19(26-18)24-12-7-4-3-5-8-12/h3-11H,1-2H3,(H2,23,24,25,26)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana IspC expressed in Escherichia coli after 40 min by spectrophotometric analysis				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase, chloroplastic (Arabidopsis thaliana)	BDBM50488589 (CHEMBL2289496) Show SMILES COc1ccc(\C=N\Nc2nc3ccccc3[nH]2)cc1OCc1ccccc1 Show InChI InChI=1S/C22H20N4O2/c1-27-20-12-11-17(13-21(20)28-15-16-7-3-2-4-8-16)14-23-26-22-24-18-9-5-6-10-19(18)25-22/h2-14H,15H2,1H3,(H2,24,25,26)/b23-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana N-terminal GST-tagged DXS expressed in Escherichia coli BL21 GOLD (DE) using glyceraldehydephosphate and pyruvate ...				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, chloroplastic/chromoplastic (Solanum lycopersicum)	BDBM50488596 (CHEMBL2289490) Show SMILES NC1=N\C(=N/NC(=O)Cc2cccc3ccccc23)c2ccccc12 |t:1| Show InChI InChI=1S/C20H16N4O/c21-19-16-10-3-4-11-17(16)20(22-19)24-23-18(25)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,23,25)(H2,21,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Solanum lycopersicum (tomato) IspE				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic (Arabidopsis thaliana)	BDBM50488591 (CHEMBL2289495) Show SMILES CCC1(C)Cc2c(CS1)sc1nc(SC)nc(O)c21 Show InChI InChI=1S/C13H16N2OS3/c1-4-13(2)5-7-8(6-18-13)19-11-9(7)10(16)14-12(15-11)17-3/h4-6H2,1-3H3,(H,14,15,16)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana IspC expressed in Escherichia coli after 40 min by spectrophotometric analysis				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase, chloroplastic (Arabidopsis thaliana)	BDBM50488595 (CHEMBL2289497) Show SMILES CCOc1ccc(-c2onc(c2-c2ccc(OC)cc2)C(F)(F)F)c(O)c1 Show InChI InChI=1S/C19H16F3NO4/c1-3-26-13-8-9-14(15(24)10-13)17-16(18(23-27-17)19(20,21)22)11-4-6-12(25-2)7-5-11/h4-10,24H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana N-terminal GST-tagged DXS expressed in Escherichia coli BL21 GOLD (DE) using glyceraldehydephosphate and pyruvate ...				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair