Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'lence' and Initial = 'e'   

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
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50367250 (3-DEAZAARISTEROMYCIN A | CHEMBL268272) Show SMILES Nc1nccc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against S-adenosyl-homocysteine hydrolase				J Med Chem 28: 471-7 (1985) BindingDB Entry DOI: 10.7270/Q21C1XF3
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against S-adenosyl-homocysteine hydrolase				J Med Chem 28: 471-7 (1985) BindingDB Entry DOI: 10.7270/Q21C1XF3
					More data for this Ligand-Target Pair				3D Structure (docked)
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182452 (CHEMBL3818567) Show SMILES [Na+].O[C@@H]1C=C(C[C@@H](OCc2cccc(c2)[N+]([O-])=O)[C@@H]1O)C([O-])=O |r,c:2| Show InChI InChI=1S/C14H15NO7.Na/c16-11-5-9(14(18)19)6-12(13(11)17)22-7-8-2-1-3-10(4-8)15(20)21;/h1-5,11-13,16-17H,6-7H2,(H,18,19);/q;+1/p-1/t11-,12-,13-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182448 (CHEMBL3818824) Show SMILES O[C@@H]1C=C(C[C@@H](OCc2ccc3sccc3c2)[C@@H]1O)C(O)=O |r,c:2| Show InChI InChI=1S/C16H16O5S/c17-12-6-11(16(19)20)7-13(15(12)18)21-8-9-1-2-14-10(5-9)3-4-22-14/h1-6,12-13,15,17-18H,7-8H2,(H,19,20)/t12-,13-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182479 (CHEMBL3818668) Show SMILES COc1cccc(CO[C@@H]2CC(=C[C@@H](O)[C@H]2O)C(O)=O)c1 |r,c:11| Show InChI InChI=1S/C15H18O6/c1-20-11-4-2-3-9(5-11)8-21-13-7-10(15(18)19)6-12(16)14(13)17/h2-6,12-14,16-17H,7-8H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182478 (CHEMBL3819175) Show SMILES O[C@@H]1C=C(C[C@@H](OCc2cccc(F)c2)[C@@H]1O)C(O)=O |r,c:2| Show InChI InChI=1S/C14H15FO5/c15-10-3-1-2-8(4-10)7-20-12-6-9(14(18)19)5-11(16)13(12)17/h1-5,11-13,16-17H,6-7H2,(H,18,19)/t11-,12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182449 (CHEMBL3819573) Show SMILES O[C@@H]1C=C(C[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O)C(O)=O |r,c:2| Show InChI InChI=1S/C18H18O5/c19-15-8-14(18(21)22)9-16(17(15)20)23-10-11-5-6-12-3-1-2-4-13(12)7-11/h1-8,15-17,19-20H,9-10H2,(H,21,22)/t15-,16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182476 (CHEMBL3818740) Show SMILES Cc1cccc(CO[C@@H]2CC(=C[C@@H](O)[C@H]2O)C(O)=O)c1 |r,c:10| Show InChI InChI=1S/C15H18O5/c1-9-3-2-4-10(5-9)8-20-13-7-11(15(18)19)6-12(16)14(13)17/h2-6,12-14,16-17H,7-8H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182480 (CHEMBL3818794) Show SMILES O[C@@H]1C=C(C[C@@H](OCc2ccccc2)[C@@H]1O)C(O)=O |r,c:2| Show InChI InChI=1S/C14H16O5/c15-11-6-10(14(17)18)7-12(13(11)16)19-8-9-4-2-1-3-5-9/h1-6,11-13,15-16H,7-8H2,(H,17,18)/t11-,12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137070 ((1R,4R,5R)-1,5-Dihydroxy-4-(2-nitro-benzyloxy)-cyc...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccccc1[N+]([O-])=O)C(O)=O |c:5| Show InChI InChI=1S/C14H15NO7/c16-11-7-14(19,13(17)18)6-5-12(11)22-8-9-3-1-2-4-10(9)15(20)21/h1-6,11-12,16,19H,7-8H2,(H,17,18)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182451 (CHEMBL3818120) Show SMILES Cc1ccc(CO[C@@H]2CC(=C[C@@H](O)[C@H]2O)C(O)=O)cc1 |r,c:9| Show InChI InChI=1S/C15H18O5/c1-9-2-4-10(5-3-9)8-20-13-7-11(15(18)19)6-12(16)14(13)17/h2-6,12-14,16-17H,7-8H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50026329 (3-(7-Amino-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5...) Show SMILES Nc1ncnc2n(nnc12)C1CC(CO)C(O)C1O Show InChI InChI=1S/C10H14N6O3/c11-9-6-10(13-3-12-9)16(15-14-6)5-1-4(2-17)7(18)8(5)19/h3-5,7-8,17-19H,1-2H2,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against S-adenosyl-homocysteine hydrolase				J Med Chem 28: 471-7 (1985) BindingDB Entry DOI: 10.7270/Q21C1XF3
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182450 (CHEMBL3818962) Show SMILES [Na+].O[C@@H]1C=C(C[C@@H](OCc2c(F)c(F)c(F)c(F)c2F)[C@@H]1O)C([O-])=O |r,c:2| Show InChI InChI=1S/C14H11F5O5.Na/c15-8-5(9(16)11(18)12(19)10(8)17)3-24-7-2-4(14(22)23)1-6(20)13(7)21;/h1,6-7,13,20-21H,2-3H2,(H,22,23);/q;+1/p-1/t6-,7-,13-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137066 ((1R,4R,5R)-4,5-Dihydroxy-1-(2-nitro-benzyloxy)-cyc...) Show SMILES O[C@@H]1C[C@@](OCc2ccccc2[N+]([O-])=O)(C=C[C@H]1O)C(O)=O |c:16| Show InChI InChI=1S/C14H15NO7/c16-11-5-6-14(13(18)19,7-12(11)17)22-8-9-3-1-2-4-10(9)15(20)21/h1-6,11-12,16-17H,7-8H2,(H,18,19)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182481 (CHEMBL3818698) Show SMILES O[C@@H]1C=C(C[C@H]([C@@H]1O)n1cc(COc2ccccc2)nn1)C(O)=O |r,c:2| Show InChI InChI=1S/C16H17N3O5/c20-14-7-10(16(22)23)6-13(15(14)21)19-8-11(17-18-19)9-24-12-4-2-1-3-5-12/h1-5,7-8,13-15,20-21H,6,9H2,(H,22,23)/t13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137053 ((1R,4R,5R)-4-(4-Fluoro-benzyloxy)-1,5-dihydroxy-cy...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccc(F)cc1)C(O)=O |c:5| Show InChI InChI=1S/C14H15FO5/c15-10-3-1-9(2-4-10)8-20-12-5-6-14(19,13(17)18)7-11(12)16/h1-6,11-12,16,19H,7-8H2,(H,17,18)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182447 (CHEMBL3819604) Show SMILES O[C@@H]1C=C(C[C@H]([C@@H]1O)n1cc(Cc2ccccc2)nn1)C(O)=O |r,c:2| Show InChI InChI=1S/C16H17N3O4/c20-14-8-11(16(22)23)7-13(15(14)21)19-9-12(17-18-19)6-10-4-2-1-3-5-10/h1-5,8-9,13-15,20-21H,6-7H2,(H,22,23)/t13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137056 (4-((1R,4R,6R)-4-Carboxy-4,6-dihydroxy-cyclohex-2-e...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccc(cc1)C(O)=O)C(O)=O |c:5| Show InChI InChI=1S/C15H16O7/c16-11-7-15(21,14(19)20)6-5-12(11)22-8-9-1-3-10(4-2-9)13(17)18/h1-6,11-12,16,21H,7-8H2,(H,17,18)(H,19,20)/t11-,12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137068 ((1R,4R,5R)-4-(2-Fluoro-benzyloxy)-1,5-dihydroxy-cy...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccccc1F)C(O)=O |c:5| Show InChI InChI=1S/C14H15FO5/c15-10-4-2-1-3-9(10)8-20-12-5-6-14(19,13(17)18)7-11(12)16/h1-6,11-12,16,19H,7-8H2,(H,17,18)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137055 ((1R,4R,5R)-4-(3-Fluoro-benzyloxy)-1,5-dihydroxy-cy...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1cccc(F)c1)C(O)=O |c:5| Show InChI InChI=1S/C14H15FO5/c15-10-3-1-2-9(6-10)8-20-12-4-5-14(19,13(17)18)7-11(12)16/h1-6,11-12,16,19H,7-8H2,(H,17,18)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137059 (4-((1R,4R,5R)-1-Carboxy-4,5-dihydroxy-cyclohex-2-e...) Show SMILES O[C@@H]1C[C@@](OCc2ccc(cc2)C(O)=O)(C=C[C@H]1O)C(O)=O |c:16| Show InChI InChI=1S/C15H16O7/c16-11-5-6-15(14(20)21,7-12(11)17)22-8-9-1-3-10(4-2-9)13(18)19/h1-6,11-12,16-17H,7-8H2,(H,18,19)(H,20,21)/t11-,12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137054 ((1R,4R,5R)-1,5-Dihydroxy-4-(4-nitro-benzyloxy)-cyc...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccc(cc1)[N+]([O-])=O)C(O)=O |c:5| Show InChI InChI=1S/C14H15NO7/c16-11-7-14(19,13(17)18)6-5-12(11)22-8-9-1-3-10(4-2-9)15(20)21/h1-6,11-12,16,19H,7-8H2,(H,17,18)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137067 ((1R,4R,5R)-4-Benzyloxy-1,5-dihydroxy-cyclohex-2-en...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccccc1)C(O)=O |c:5| Show InChI InChI=1S/C14H16O5/c15-11-8-14(18,13(16)17)7-6-12(11)19-9-10-4-2-1-3-5-10/h1-7,11-12,15,18H,8-9H2,(H,16,17)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair				3D Structure (docked)
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137062 ((1R,4R,5R)-1-(2-Fluoro-benzyloxy)-4,5-dihydroxy-cy...) Show SMILES O[C@@H]1C[C@@](OCc2ccccc2F)(C=C[C@H]1O)C(O)=O |c:14| Show InChI InChI=1S/C14H15FO5/c15-10-4-2-1-3-9(10)8-20-14(13(18)19)6-5-11(16)12(17)7-14/h1-6,11-12,16-17H,7-8H2,(H,18,19)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137060 ((1R,4R,5R)-4-(4-Cyano-benzyloxy)-1,5-dihydroxy-cyc...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccc(cc1)C#N)C(O)=O |c:5| Show InChI InChI=1S/C15H15NO5/c16-8-10-1-3-11(4-2-10)9-21-13-5-6-15(20,14(18)19)7-12(13)17/h1-6,12-13,17,20H,7,9H2,(H,18,19)/t12-,13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137063 ((1R,4R,5R)-1-(4-Fluoro-benzyloxy)-4,5-dihydroxy-cy...) Show SMILES O[C@@H]1C[C@@](OCc2ccc(F)cc2)(C=C[C@H]1O)C(O)=O |c:14| Show InChI InChI=1S/C14H15FO5/c15-10-3-1-9(2-4-10)8-20-14(13(18)19)6-5-11(16)12(17)7-14/h1-6,11-12,16-17H,7-8H2,(H,18,19)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.75E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137057 ((1R,4R,5R)-1-Benzyloxy-4,5-dihydroxy-cyclohex-2-en...) Show SMILES O[C@@H]1C[C@@](OCc2ccccc2)(C=C[C@H]1O)C(O)=O |c:13| Show InChI InChI=1S/C14H16O5/c15-11-6-7-14(13(17)18,8-12(11)16)19-9-10-4-2-1-3-5-10/h1-7,11-12,15-16H,8-9H2,(H,17,18)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137065 ((1R,4R,5R)-1-(3-Fluoro-benzyloxy)-4,5-dihydroxy-cy...) Show SMILES O[C@@H]1C[C@@](OCc2cccc(F)c2)(C=C[C@H]1O)C(O)=O |c:14| Show InChI InChI=1S/C14H15FO5/c15-10-3-1-2-9(6-10)8-20-14(13(18)19)5-4-11(16)12(17)7-14/h1-6,11-12,16-17H,7-8H2,(H,18,19)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137069 ((1R,4R,5R)-1-(4-Cyano-benzyloxy)-4,5-dihydroxy-cyc...) Show SMILES O[C@@H]1C[C@@](OCc2ccc(cc2)C#N)(C=C[C@H]1O)C(O)=O |c:15| Show InChI InChI=1S/C15H15NO5/c16-8-10-1-3-11(4-2-10)9-21-15(14(19)20)6-5-12(17)13(18)7-15/h1-6,12-13,17-18H,7,9H2,(H,19,20)/t12-,13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182483 (CHEMBL3819040) Show SMILES [Na+].N[C@H]1C=C(C[C@@H](OCc2ccc3sccc3c2)[C@@H]1O)C([O-])=O |r,c:2| Show InChI InChI=1S/C16H17NO4S.Na/c17-12-6-11(16(19)20)7-13(15(12)18)21-8-9-1-2-14-10(5-9)3-4-22-14;/h1-6,12-13,15,18H,7-8,17H2,(H,19,20);/q;+1/p-1/t12-,13+,15+;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
Shikimate kinase (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50182482 (CHEMBL3817864) Show SMILES [Na+].N[C@H]1C=C(C[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O)C([O-])=O |r,c:2| Show InChI InChI=1S/C18H19NO4.Na/c19-15-8-14(18(21)22)9-16(17(15)20)23-10-11-5-6-12-3-1-2-4-13(12)7-11;/h1-8,15-17,20H,9-10,19H2,(H,21,22);/q;+1/p-1/t15-,16+,17+;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate...				J Med Chem 59: 5471-87 (2016) Article DOI: 10.1021/acs.jmedchem.6b00483 BindingDB Entry DOI: 10.7270/Q2JW8GT4
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137061 ((1R,4R,5R)-4,5-Dihydroxy-1-(4-nitro-benzyloxy)-cyc...) Show SMILES O[C@@H]1C[C@@](OCc2ccc(cc2)[N+]([O-])=O)(C=C[C@H]1O)C(O)=O |c:16| Show InChI InChI=1S/C14H15NO7/c16-11-5-6-14(13(18)19,7-12(11)17)22-8-9-1-3-10(4-2-9)15(20)21/h1-6,11-12,16-17H,7-8H2,(H,18,19)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137064 ((1R,4R,5R)-4,5-Dihydroxy-1-(4-hydroxymethyl-benzyl...) Show SMILES OCc1ccc(CO[C@@]2(C[C@@H](O)[C@H](O)C=C2)C(O)=O)cc1 |c:14| Show InChI InChI=1S/C15H18O6/c16-8-10-1-3-11(4-2-10)9-21-15(14(19)20)6-5-12(17)13(18)7-15/h1-6,12-13,16-18H,7-9H2,(H,19,20)/t12-,13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM50137058 ((1R,4R,5R)-1,5-Dihydroxy-4-(4-hydroxymethyl-benzyl...) Show SMILES OCc1ccc(CO[C@@H]2C=C[C@](O)(C[C@H]2O)C(O)=O)cc1 |c:9| Show InChI InChI=1S/C15H18O6/c16-8-10-1-3-11(4-2-10)9-21-13-5-6-15(20,14(18)19)7-12(13)17/h1-6,12-13,16-17,20H,7-9H2,(H,18,19)/t12-,13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50020299 ((R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-h...) Show SMILES O[C@@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21+,22?,23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50035622 ((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50405735 (CHEMBL2114230) Show SMILES O[C@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21-,22?,23+,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50035622 ((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes...				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50020299 ((R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-h...) Show SMILES O[C@@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21+,22?,23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50020302 ((S-isomer)7-{2-[5-(4-Azido-phenyl)-3-hydroxy-pent-...) Show SMILES O[C@@H](CCc1ccc(cc1)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C23H31N3O5/c24-26-25-17-10-7-16(8-11-17)9-12-18(27)13-14-20-19(21(28)15-22(20)29)5-3-1-2-4-6-23(30)31/h1,3,7-8,10-11,13-14,18-22,27-29H,2,4-6,9,12,15H2,(H,30,31)/b3-1-,14-13+/t18-,19+,20+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50020303 ((R-isomer)7-{2-[5-(4-Azido-3-iodo-phenyl)-3-hydrox...) Show SMILES O[C@@H](CCc1ccc(N=[N+]=[N-])c(I)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C23H30IN3O5/c24-19-13-15(8-12-20(19)26-27-25)7-9-16(28)10-11-18-17(21(29)14-22(18)30)5-3-1-2-4-6-23(31)32/h1,3,8,10-13,16-18,21-22,28-30H,2,4-7,9,14H2,(H,31,32)/b3-1-,11-10+/t16-,17+,18+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50405735 (CHEMBL2114230) Show SMILES O[C@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21-,22?,23+,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50020301 ((R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-h...) Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)C1\C=C\[C@@H](O)CCCCc1ccccc1 Show InChI InChI=1S/C26H38O5/c1-31-26(30)16-8-3-2-7-15-22-23(25(29)19-24(22)28)18-17-21(27)14-10-9-13-20-11-5-4-6-12-20/h2,4-7,11-12,17-18,21-25,27-29H,3,8-10,13-16,19H2,1H3/b7-2-,18-17+/t21-,22+,23?,24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50603972 (CHEBI:67844 | MARINOQUINOLINE F | Marinoquinoline ...) Show SMILES O=C(c1c[nH]c2ccccc12)c1nc2ccccc2c2cc[nH]c12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114206 BindingDB Entry DOI: 10.7270/Q2RR23BH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50603971 (CHEBI:67843 | MARINOQUINOLINE E | Marinoquinoline ...) Show SMILES c1cc2c([nH]1)c(nc1ccccc21)-c1c[nH]c2ccccc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114206 BindingDB Entry DOI: 10.7270/Q2RR23BH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50603970 (CHEBI:67842 | MARINOQUINOLINE D | Marinoquinoline ...) Show SMILES Oc1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114206 BindingDB Entry DOI: 10.7270/Q2RR23BH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50603969 (CHEBI:67841 | MARINOQUINOLINE C | Marinoquinoline ...) Show SMILES C(c1ccccc1)c1nc2ccccc2c2cc[nH]c12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114206 BindingDB Entry DOI: 10.7270/Q2RR23BH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50603968 (CHEBI:67839 | MARINOQUINOLINE A | Marinoquinoline ...) Show SMILES Cc1nc2ccccc2c2cc[nH]c12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114206 BindingDB Entry DOI: 10.7270/Q2RR23BH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50603967 (CHEMBL4169239) Show SMILES CC(C)Cc1nc2ccccc2c2cc[nH]c12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114206 BindingDB Entry DOI: 10.7270/Q2RR23BH
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50020306 ((S-isomer)7-{2-[5-(4-Azido-2-hydroxy-phenyl)-3-hyd...) Show SMILES O[C@@H](CCc1ccc(cc1O)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C23H31N3O6/c24-26-25-16-9-7-15(20(28)13-16)8-10-17(27)11-12-19-18(21(29)14-22(19)30)5-3-1-2-4-6-23(31)32/h1,3,7,9,11-13,17-19,21-22,27-30H,2,4-6,8,10,14H2,(H,31,32)/b3-1-,12-11+/t17-,18+,19+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair

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