Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 402.4 BDBM50398482Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protective antigen (Bacillus anthracis)	BDBM50398482 (CHEMBL2179142) Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(N)=O Show InChI InChI=1S/C22H18N4O4/c23-19(27)15-5-1-3-7-17(15)25-21(29)13-9-11-14(12-10-13)22(30)26-18-8-4-2-6-16(18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease activated Bacillus anthracis Protective antigen-mediated cytotoxicity in HT1080 cells compound co-treated for 5 ...				J Med Chem 55: 7998-8006 (2012) Article DOI: 10.1021/jm300804e BindingDB Entry DOI: 10.7270/Q2ZP4786
					More data for this Ligand-Target Pair
Protective antigen (Bacillus anthracis)	BDBM50398482 (CHEMBL2179142) Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(N)=O Show InChI InChI=1S/C22H18N4O4/c23-19(27)15-5-1-3-7-17(15)25-21(29)13-9-11-14(12-10-13)22(30)26-18-8-4-2-6-16(18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in RAW264.7 cells compound co-treated for 5 hrs with antigen by MTT assay i...				J Med Chem 55: 7998-8006 (2012) Article DOI: 10.1021/jm300804e BindingDB Entry DOI: 10.7270/Q2ZP4786
					More data for this Ligand-Target Pair
Protective antigen (Bacillus anthracis)	BDBM50398482 (CHEMBL2179142) Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(N)=O Show InChI InChI=1S/C22H18N4O4/c23-19(27)15-5-1-3-7-17(15)25-21(29)13-9-11-14(12-10-13)22(30)26-18-8-4-2-6-16(18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in RAW264.7 cells compound co-treated for 5 hrs with antigen measured after...				J Med Chem 55: 7998-8006 (2012) Article DOI: 10.1021/jm300804e BindingDB Entry DOI: 10.7270/Q2ZP4786
					More data for this Ligand-Target Pair
Protective antigen (Bacillus anthracis)	BDBM50398482 (CHEMBL2179142) Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(N)=O Show InChI InChI=1S/C22H18N4O4/c23-19(27)15-5-1-3-7-17(15)25-21(29)13-9-11-14(12-10-13)22(30)26-18-8-4-2-6-16(18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in HT1080 cells compound co-treated for 5 hrs with antigen measured after 4...				J Med Chem 55: 7998-8006 (2012) Article DOI: 10.1021/jm300804e BindingDB Entry DOI: 10.7270/Q2ZP4786
					More data for this Ligand-Target Pair