BDBM50429821 CHEMBL2337714

SMILES: [O-]C(=O)CCc1cccc(c1)C([O-])=O

InChI Key: InChIKey=XUOCLOJWCPUKCS-UHFFFAOYSA-L

Data: 1 KI  1 IC50

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 = 50429821   

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
FkbO (Streptomyces hygroscopicus subsp. ascomyceticus)	BDBM50429821 (CHEMBL2337714) Show SMILES [O-]C(=O)CCc1cccc(c1)C([O-])=O Show InChI InChI=1S/C10H10O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12)(H,13,14)/p-2	PDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.02E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Competitive inhibition of Streptomyces hygroscopicus subsp. ascomyceticus chorismatase FkbO expressed in Escherichia coli BL21(DE3) using chorismate ...				Bioorg Med Chem Lett 23: 1477-81 (2013) Article DOI: 10.1016/j.bmcl.2012.12.059 BindingDB Entry DOI: 10.7270/Q2QV3NVZ
					More data for this Ligand-Target Pair
FkbO (Streptomyces hygroscopicus subsp. ascomyceticus)	BDBM50429821 (CHEMBL2337714) Show SMILES [O-]C(=O)CCc1cccc(c1)C([O-])=O Show InChI InChI=1S/C10H10O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12)(H,13,14)/p-2	PDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of Streptomyces hygroscopicus subsp. ascomyceticus chorismatase FkbO expressed in Escherichia coli BL21(DE3) using chorismate as substrate...				Bioorg Med Chem Lett 23: 1477-81 (2013) Article DOI: 10.1016/j.bmcl.2012.12.059 BindingDB Entry DOI: 10.7270/Q2QV3NVZ
					More data for this Ligand-Target Pair