BDBM50244093 1-hydroxypropane-1,2,3-tricarboxylate::isocitrate::isocitrate(3-)

SMILES: OC(C(CC([O-])=O)C([O-])=O)C([O-])=O

InChI Key: InChIKey=ODBLHEXUDAPZAU-UHFFFAOYSA-K

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 = 50244093   

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
Beta-lactamase (Bacillus licheniformis)	BDBM50244093 (1-hydroxypropane-1,2,3-tricarboxylate | isocitrate...) Show SMILES OC(C(CC([O-])=O)C([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50244093 (1-hydroxypropane-1,2,3-tricarboxylate | isocitrate...) Show SMILES OC(C(CC([O-])=O)C([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of PHD2 (unknown origin)				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
					More data for this Ligand-Target Pair