Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Shikimate kinase' and Ligand = 'BDBM50370962'   

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
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50370962 (CHEMBL223867) Show SMILES COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC |w:24.25,c:30| Show InChI InChI=1S/C27H23NO6S2/c1-31-23-11-17(13-25-26(30)28-27(35)36-25)7-9-21(23)33-15-19-5-3-4-6-20(19)16-34-22-10-8-18(14-29)12-24(22)32-2/h3-14H,15-16H2,1-2H3,(H,28,30,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells in presence of varying MgATP levels by double couple...				Bioorg Med Chem 15: 656-62 (2006) Article DOI: 10.1016/j.bmc.2006.10.058 BindingDB Entry DOI: 10.7270/Q2959JC3
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50370962 (CHEMBL223867) Show SMILES COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC |w:24.25,c:30| Show InChI InChI=1S/C27H23NO6S2/c1-31-23-11-17(13-25-26(30)28-27(35)36-25)7-9-21(23)33-15-19-5-3-4-6-20(19)16-34-22-10-8-18(14-29)12-24(22)32-2/h3-14H,15-16H2,1-2H3,(H,28,30,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay				Bioorg Med Chem 15: 656-62 (2006) Article DOI: 10.1016/j.bmc.2006.10.058 BindingDB Entry DOI: 10.7270/Q2959JC3
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50370962 (CHEMBL223867) Show SMILES COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC |w:24.25,c:30| Show InChI InChI=1S/C27H23NO6S2/c1-31-23-11-17(13-25-26(30)28-27(35)36-25)7-9-21(23)33-15-19-5-3-4-6-20(19)16-34-22-10-8-18(14-29)12-24(22)32-2/h3-14H,15-16H2,1-2H3,(H,28,30,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells in presesnce of varying shikimate levels by double c...				Bioorg Med Chem 15: 656-62 (2006) Article DOI: 10.1016/j.bmc.2006.10.058 BindingDB Entry DOI: 10.7270/Q2959JC3
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50370962 (CHEMBL223867) Show SMILES COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC |w:24.25,c:30| Show InChI InChI=1S/C27H23NO6S2/c1-31-23-11-17(13-25-26(30)28-27(35)36-25)7-9-21(23)33-15-19-5-3-4-6-20(19)16-34-22-10-8-18(14-29)12-24(22)32-2/h3-14H,15-16H2,1-2H3,(H,28,30,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay				Bioorg Med Chem 15: 656-62 (2006) Article DOI: 10.1016/j.bmc.2006.10.058 BindingDB Entry DOI: 10.7270/Q2959JC3
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50370962 (CHEMBL223867) Show SMILES COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC |w:24.25,c:30| Show InChI InChI=1S/C27H23NO6S2/c1-31-23-11-17(13-25-26(30)28-27(35)36-25)7-9-21(23)33-15-19-5-3-4-6-20(19)16-34-22-10-8-18(14-29)12-24(22)32-2/h3-14H,15-16H2,1-2H3,(H,28,30,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.39E+3	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by SPR assay				Bioorg Med Chem 15: 656-62 (2006) Article DOI: 10.1016/j.bmc.2006.10.058 BindingDB Entry DOI: 10.7270/Q2959JC3
					More data for this Ligand-Target Pair