Compile Data Set for Download or QSAR

Found 7 hits of kd data for polymerid = 3977   

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 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12))	BDBM31916 (Tryptophanhydroxamate, 13) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO |r| Show InChI InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.92E+3	n/a	n/a	n/a	7.0	10
University of Dundee					Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr...				J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB
					More data for this Ligand-Target Pair
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12))	BDBM31916 (Tryptophanhydroxamate, 13) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO |r| Show InChI InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Escherichia coli IspF at pH 7.4 measured by isothermal titration calorimetry method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128273 BindingDB Entry DOI: 10.7270/Q2VT1WTJ
					More data for this Ligand-Target Pair
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12))	BDBM31910 (Cyclic CMP, 7) Show SMILES Nc1ccn([C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	9.00E+5	n/a	n/a	n/a	7.0	10
University of Dundee					Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr...				J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12))	BDBM31914 (4-amino-1-[(2R,3R,4S,5R)-3, 4-dihydroxy-5-(hydroxy...) Show SMILES Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2.02E+6	n/a	n/a	n/a	7.0	10
University of Dundee					Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr...				J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12))	BDBM31913 (1-beta-D-arabinofuranosylcytosine 5-monophosphate ...) Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]2O)c(=O)n1 Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.89E+7	n/a	n/a	n/a	7.0	10
University of Dundee					Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr...				J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12))	BDBM31909 (Cytidine 2,3-cyclic phosphate, 6) Show SMILES Nc1ccn([C@H]2O[C@@H](CO)[C@H]3OP(O)(=O)O[C@@H]23)c(=O)n1 |r| Show InChI InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6+,7+,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.05E+7	n/a	n/a	n/a	7.0	10
University of Dundee					Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr...				J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB
					More data for this Ligand-Target Pair				3D Structure (docked)
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12))	BDBM31915 (CDV | Cidofovir | HPMPC | US10071110, Compound Cid...) Show SMILES Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1 |r| Show InChI InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.00E+7	n/a	n/a	n/a	7.0	10
University of Dundee					Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr...				J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB
					More data for this Ligand-Target Pair