Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '3-dehydroquinate synthase' and Ligand = 'BDBM50280172'   

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))	BDBM50280172 (1,3,4-Trihydroxy-5-phosphonomethyl-cyclohexanecarb...) Show SMILES OC1CC(O)(CC(CP(O)(O)=O)C1O)C(O)=O Show InChI InChI=1S/C8H15O8P/c9-5-2-8(13,7(11)12)1-4(6(5)10)3-17(14,15)16/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against calf thymus 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))	BDBM50280172 (1,3,4-Trihydroxy-5-phosphonomethyl-cyclohexanecarb...) Show SMILES OC1CC(O)(CC(CP(O)(O)=O)C1O)C(O)=O Show InChI InChI=1S/C8H15O8P/c9-5-2-8(13,7(11)12)1-4(6(5)10)3-17(14,15)16/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.000750	1.40E+5	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))	BDBM50280172 (1,3,4-Trihydroxy-5-phosphonomethyl-cyclohexanecarb...) Show SMILES OC1CC(O)(CC(CP(O)(O)=O)C1O)C(O)=O Show InChI InChI=1S/C8H15O8P/c9-5-2-8(13,7(11)12)1-4(6(5)10)3-17(14,15)16/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.000750	n/a	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