BDBM50137070 (1R,4R,5R)-1,5-Dihydroxy-4-(2-nitro-benzyloxy)-cyclohex-2-enecarboxylic acid::CHEMBL345567

SMILES: O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccccc1[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=KKNDQIGUXIEMRA-BZPMIXESSA-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 = 50137070   

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 (Streptomyces coelicolor)	BDBM50137070 ((1R,4R,5R)-1,5-Dihydroxy-4-(2-nitro-benzyloxy)-cyc...) Show SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccccc1[N+]([O-])=O)C(O)=O |c:5| Show InChI InChI=1S/C14H15NO7/c16-11-7-14(19,13(17)18)6-5-12(11)22-8-9-3-1-2-4-10(9)15(20)21/h1-6,11-12,16,19H,7-8H2,(H,17,18)/t11-,12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+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 In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.				J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0
					More data for this Ligand-Target Pair