BDBM50274515 3-nitropropanoic acid::3-nitropropionic acid::Bovinocidin::CHEMBL231421::CHEMBL451226

SMILES: [O-]C(=O)CC[N+]([O-])=O

InChI Key: InChIKey=WBLZUCOIBUDNBV-UHFFFAOYSA-M

Data: 12 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 12 hits for monomerid = 50274515   

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
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Candida albicans ATCC 10231 isocitrate lyase				Bioorg Med Chem Lett 20: 6644-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.015 BindingDB Entry DOI: 10.7270/Q22V2GBW
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				J Nat Prod 74: 1805-11 (2011) Article DOI: 10.1021/np200492k BindingDB Entry DOI: 10.7270/Q2C53M7G
					More data for this Ligand-Target Pair
Isocitrate lyase (ICL) (Mycobacterium tuberculosis)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase after 30 mins				Bioorg Med Chem Lett 21: 7142-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.072 BindingDB Entry DOI: 10.7270/Q28G8M3R
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Candida albicans recombinant ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry				Bioorg Med Chem 20: 4082-7 (2012) Article DOI: 10.1016/j.bmc.2012.05.002 BindingDB Entry DOI: 10.7270/Q29S1S3K
					More data for this Ligand-Target Pair
Isocitrate lyase (ICL) (Mycobacterium tuberculosis)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant Candida albicans ATCC 10231 ICL using phenylhydrazine and isocitrate as substrate assessed as formation of glyoxylate pheny...				Bioorg Med Chem Lett 23: 4099-101 (2013) Article DOI: 10.1016/j.bmcl.2013.05.051 BindingDB Entry DOI: 10.7270/Q2Z3212D
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of candida albicans isocitrate lyase				Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis				J Nat Prod 75: 2055-61 (2012) Article DOI: 10.1021/np3005562 BindingDB Entry DOI: 10.7270/Q2416Z76
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Ocean Research and Development Institute Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase				Bioorg Med Chem Lett 17: 2483-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.027 BindingDB Entry DOI: 10.7270/Q2N87BKP
					More data for this Ligand-Target Pair