Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '3-dehydroquinate synthase' and Ligand = 'BDBM50028883'   

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
3-dehydroquinate synthase (Escherichia coli (strain K12))	BDBM50028883 ((1S,3S,5R)-1,3-Dihydroxy-5-phosphonomethyl-cyclohe...) Show SMILES O[C@H]1C[C@@H](CP(O)(O)=O)C[C@](O)(C1)C(O)=O Show InChI InChI=1S/C8H15O7P/c9-6-1-5(4-16(13,14)15)2-8(12,3-6)7(10)11/h5-6,9,12H,1-4H2,(H,10,11)(H2,13,14,15)/t5-,6+,8+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Association rate constant of the compound was determined against 3-dehydroquinate synthase				Bioorg Med Chem Lett 2: 1349-1352 (1992) Article DOI: 10.1016/S0960-894X(00)80510-7 BindingDB Entry DOI: 10.7270/Q2MW2H21
					More data for this Ligand-Target Pair
3-dehydroquinate synthase (Escherichia coli (strain K12))	BDBM50028883 ((1S,3S,5R)-1,3-Dihydroxy-5-phosphonomethyl-cyclohe...) Show SMILES O[C@H]1C[C@@H](CP(O)(O)=O)C[C@](O)(C1)C(O)=O Show InChI InChI=1S/C8H15O7P/c9-6-1-5(4-16(13,14)15)2-8(12,3-6)7(10)11/h5-6,9,12H,1-4H2,(H,10,11)(H2,13,14,15)/t5-,6+,8+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against Herpes Simplex Virus type 2 ribonucleotide reductase				Bioorg Med Chem Lett 2: 1349-1352 (1992) Article DOI: 10.1016/S0960-894X(00)80510-7 BindingDB Entry DOI: 10.7270/Q2MW2H21
					More data for this Ligand-Target Pair
3-dehydroquinate synthase (Escherichia coli (strain K12))	BDBM50028883 ((1S,3S,5R)-1,3-Dihydroxy-5-phosphonomethyl-cyclohe...) Show SMILES O[C@H]1C[C@@H](CP(O)(O)=O)C[C@](O)(C1)C(O)=O Show InChI InChI=1S/C8H15O7P/c9-6-1-5(4-16(13,14)15)2-8(12,3-6)7(10)11/h5-6,9,12H,1-4H2,(H,10,11)(H2,13,14,15)/t5-,6+,8+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.000540	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Association rate constant of the compound was determined against 3-dehydroquinate synthase				Bioorg Med Chem Lett 2: 1349-1352 (1992) Article DOI: 10.1016/S0960-894X(00)80510-7 BindingDB Entry DOI: 10.7270/Q2MW2H21
					More data for this Ligand-Target Pair