Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = '4-diphosphocytidyl-2-C-methyl-D-erythritol kinase'   

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-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Escherichia coli (strain K12))	BDBM50562013 (CHEMBL3359036) Show SMILES Nc1nc(=O)n(cc1C#CCNS(=O)(=O)C1CC1)C1CCCS1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IspE expressed in Escherichia coli incubated for 30 mins by microplate reader assay				Citation and Details Article DOI: 10.1039/d0md00409j BindingDB Entry DOI: 10.7270/Q2222ZGJ
					More data for this Ligand-Target Pair
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
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Yersinia pestis)	BDBM50355117 (CHEMBL1835608) Show SMILES C=c1[nH]oc(=O)c1=Cc1ccc(o1)-c1ccccc1 |w:7.8| Show InChI InChI=1S/C15H11NO3/c1-10-13(15(17)19-16-10)9-12-7-8-14(18-12)11-5-3-2-4-6-11/h2-9,16H,1H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP production after 30 mins by Kinase Glo luminescence-based assay or stand...				Bioorg Med Chem 19: 5886-95 (2011) Article DOI: 10.1016/j.bmc.2011.08.012 BindingDB Entry DOI: 10.7270/Q2W37WQJ
					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
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Yersinia pestis)	BDBM50355116 (CHEMBL493923 | US10278929, Compound 22 | US1133793...) Show SMILES Oc1ccccc1C1NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:14| Show InChI InChI=1S/C18H14N2O2S2/c19-10-14-16(22)20-17(13-8-4-5-9-15(13)21)24-18(14)23-11-12-6-2-1-3-7-12/h1-9,17,21H,11H2,(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP production after 30 mins by Kinase Glo luminescence-based assay or stand...				Bioorg Med Chem 19: 5886-95 (2011) Article DOI: 10.1016/j.bmc.2011.08.012 BindingDB Entry DOI: 10.7270/Q2W37WQJ
					More data for this Ligand-Target Pair
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Yersinia pestis)	BDBM50283498 (4-[1-Furan-2-yl-meth-(Z)-ylidene]-3-phenyl-4H-isox...) Show SMILES O=C1ON=C(\C1=C\c1ccco1)c1ccccc1 |c:3| Show InChI InChI=1S/C14H9NO3/c16-14-12(9-11-7-4-8-17-11)13(15-18-14)10-5-2-1-3-6-10/h1-9H/b12-9-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP production after 30 mins by Kinase Glo luminescence-based assay or stand...				Bioorg Med Chem 19: 5886-95 (2011) Article DOI: 10.1016/j.bmc.2011.08.012 BindingDB Entry DOI: 10.7270/Q2W37WQJ
					More data for this Ligand-Target Pair
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Yersinia pestis)	BDBM50355115 (CHEMBL1835595) Show SMILES Clc1ccc(cc1)-c1ccc(C=c2c(=C)[nH]oc2=O)o1 |w:11.11| Show InChI InChI=1S/C15H10ClNO3/c1-9-13(15(18)20-17-9)8-12-6-7-14(19-12)10-2-4-11(16)5-3-10/h2-8,17H,1H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP production after 30 mins by Kinase Glo luminescence-based assay or stand...				Bioorg Med Chem 19: 5886-95 (2011) Article DOI: 10.1016/j.bmc.2011.08.012 BindingDB Entry DOI: 10.7270/Q2W37WQJ
					More data for this Ligand-Target Pair
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Yersinia pestis)	BDBM50355114 (CHEMBL1342017) Show SMILES Cc1ccc(\C=C2/C(=O)ON=C2c2ccccc2)o1 |c:10| Show InChI InChI=1S/C15H11NO3/c1-10-7-8-12(18-10)9-13-14(16-19-15(13)17)11-5-3-2-4-6-11/h2-9H,1H3/b13-9-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP production after 30 mins by Kinase Glo luminescence-based assay or stand...				Bioorg Med Chem 19: 5886-95 (2011) Article DOI: 10.1016/j.bmc.2011.08.012 BindingDB Entry DOI: 10.7270/Q2W37WQJ
					More data for this Ligand-Target Pair
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Yersinia pestis)	BDBM50355113 (CHEMBL1835581) Show SMILES CC1NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:7| Show InChI InChI=1S/C13H12N2OS2/c1-9-15-12(16)11(7-14)13(18-9)17-8-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP production after 30 mins by Kinase Glo luminescence-based assay or stand...				Bioorg Med Chem 19: 5886-95 (2011) Article DOI: 10.1016/j.bmc.2011.08.012 BindingDB Entry DOI: 10.7270/Q2W37WQJ
					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
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Escherichia coli (strain K12))	BDBM50562011 (CHEMBL4752949) Show SMILES CCCn1c(C)cc(c1C)-c1csc(NC(=O)c2cccs2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IspE expressed in Escherichia coli incubated for 30 mins by microplate reader assay				Citation and Details Article DOI: 10.1039/d0md00409j BindingDB Entry DOI: 10.7270/Q2222ZGJ
					More data for this Ligand-Target Pair
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Escherichia coli (strain K12))	BDBM50562012 (CHEMBL4749431) Show SMILES CCCn1c(C)cc(-c2csc(NC(=O)c3ccco3)n2)c1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IspE expressed in Escherichia coli incubated for 30 mins by microplate reader assay				Citation and Details Article DOI: 10.1039/d0md00409j BindingDB Entry DOI: 10.7270/Q2222ZGJ
					More data for this Ligand-Target Pair