Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-dehydroquinate dehydratase' and Ligand = 'BDBM50352022'   

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 dehydratase (Helicobacter pylori)	BDBM50352022 (CHEMBL1823566) Show SMILES O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2ccc3ccccc3c2)=C(OCc2ccc3ccccc3c2)[C@H]1O |r,t:21| Show InChI InChI=1S/C29H26O6/c30-25-16-29(34,28(32)33)24(15-18-9-11-20-5-1-3-7-22(20)13-18)27(26(25)31)35-17-19-10-12-21-6-2-4-8-23(21)14-19/h1-14,25-26,30-31,34H,15-17H2,(H,32,33)/p-1/t25-,26+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	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 Competitive inhibition of Helicobacter pylori DHQ2				J Med Chem 54: 6063-84 (2011) Article DOI: 10.1021/jm2006063 BindingDB Entry DOI: 10.7270/Q2XS5VSG
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Mycobacterium tuberculosis)	BDBM50352022 (CHEMBL1823566) Show SMILES O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2ccc3ccccc3c2)=C(OCc2ccc3ccccc3c2)[C@H]1O |r,t:21| Show InChI InChI=1S/C29H26O6/c30-25-16-29(34,28(32)33)24(15-18-9-11-20-5-1-3-7-22(20)13-18)27(26(25)31)35-17-19-10-12-21-6-2-4-8-23(21)14-19/h1-14,25-26,30-31,34H,15-17H2,(H,32,33)/p-1/t25-,26+,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+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 Competitive inhibition of Mycobacterium tuberculosis DHQ2				J Med Chem 54: 6063-84 (2011) Article DOI: 10.1021/jm2006063 BindingDB Entry DOI: 10.7270/Q2XS5VSG
					More data for this Ligand-Target Pair