Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   

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   (146/146 = 100%)† (Mycobacterium tuberculosis)	BDBM50170812 ((1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxyl...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1O)C(O)=O |c:5| Show InChI InChI=1S/C7H10O5/c8-4-1-2-7(12,6(10)11)3-5(4)9/h1-2,4-5,8-9,12H,3H2,(H,10,11)/t4-,5-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis type II dehydroquinase at 25 degree C pH 8.2				J Med Chem 48: 4871-81 (2005) Article DOI: 10.1021/jm0501836 BindingDB Entry DOI: 10.7270/Q2RX9BMC
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-dehydroquinate dehydratase   (146/146 = 100%)† (Mycobacterium tuberculosis)	BDBM50170812 ((1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxyl...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1O)C(O)=O |c:5| Show InChI InChI=1S/C7H10O5/c8-4-1-2-7(12,6(10)11)3-5(4)9/h1-2,4-5,8-9,12H,3H2,(H,10,11)/t4-,5-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Binding affinity for Mycobacterium tuberculosis DHQase 2				J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF
					More data for this Ligand-Target Pair				3D Structure (crystal)

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