BDBM50170800 (1R,4R,5R)-1,4,5-Trihydroxy-3-pyridin-3-yl-cyclohex-2-enecarboxylic acid::CHEMBL425726

SMILES: O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccnc1)C(O)=O

InChI Key: InChIKey=UENDUKMAYCPERY-FOGDFJRCSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170800   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
3-dehydroquinate dehydratase (Mycobacterium tuberculosis)	BDBM50170800 ((1R,4R,5R)-1,4,5-Trihydroxy-3-pyridin-3-yl-cyclohe...) Show SMILES O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccnc1)C(O)=O |c:5| Show InChI InChI=1S/C12H13NO5/c14-9-5-12(18,11(16)17)4-8(10(9)15)7-2-1-3-13-6-7/h1-4,6,9-10,14-15,18H,5H2,(H,16,17)/t9-,10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.50E+4	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