BDBM50352024 CHEMBL1823568

SMILES: O[C@@H]1C[C@](O)(C([O-])=O)C(CC=C)=C(OCc2cc3ccccc3s2)[C@H]1O

InChI Key: InChIKey=LHGICBRRMGEZTJ-SIXWZSSISA-M

Data: 2 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 2 hits for monomerid = 50352024   

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 (Helicobacter pylori)	BDBM50352024 (CHEMBL1823568) Show SMILES O[C@@H]1C[C@](O)(C([O-])=O)C(CC=C)=C(OCc2cc3ccccc3s2)[C@H]1O |r,t:11| Show InChI InChI=1S/C19H20O6S/c1-2-5-13-17(16(21)14(20)9-19(13,24)18(22)23)25-10-12-8-11-6-3-4-7-15(11)26-12/h2-4,6-8,14,16,20-21,24H,1,5,9-10H2,(H,22,23)/p-1/t14-,16+,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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 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)	BDBM50352024 (CHEMBL1823568) Show SMILES O[C@@H]1C[C@](O)(C([O-])=O)C(CC=C)=C(OCc2cc3ccccc3s2)[C@H]1O |r,t:11| Show InChI InChI=1S/C19H20O6S/c1-2-5-13-17(16(21)14(20)9-19(13,24)18(22)23)25-10-12-8-11-6-3-4-7-15(11)26-12/h2-4,6-8,14,16,20-21,24H,1,5,9-10H2,(H,22,23)/p-1/t14-,16+,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+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