BindingDB PrimarySearch

BDBM50444735 CHEMBL3099031

SMILES: Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3ccc4ncccc4c3)ccc2n1

InChI Key: InChIKey=MTGACTLWRZXJNY-UHFFFAOYSA-N

Data: 2 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50444735
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Antrax lethal toxin (Bacillus anthracis)	BDBM50444735 (CHEMBL3099031) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor assessed as MCA-KKVYPYPME[dnp]K amide cleavage after 30 mins by Eadie-Hofstee plot ana...				Bioorg Med Chem 22: 419-34 (2013) Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9
Microbiotix, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Antrax lethal toxin (Bacillus anthracis)	BDBM50444735 (CHEMBL3099031) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 3.12 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee pl...				Bioorg Med Chem 22: 419-34 (2013) Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9
Microbiotix, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Antrax lethal toxin (Bacillus anthracis)	BDBM50444735 (CHEMBL3099031) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 50 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot...				Bioorg Med Chem 22: 419-34 (2013) Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9
Microbiotix, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Antrax lethal toxin (Bacillus anthracis)	BDBM50444735 (CHEMBL3099031) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 12.5 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee pl...				Bioorg Med Chem 22: 419-34 (2013) Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9
Microbiotix, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Antrax lethal toxin (Bacillus anthracis)	BDBM50444735 (CHEMBL3099031) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 6.25 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee pl...				Bioorg Med Chem 22: 419-34 (2013) Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9
Microbiotix, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Antrax lethal toxin (Bacillus anthracis)	BDBM50444735 (CHEMBL3099031) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis lethal factor assessed as MCA-KKVYPYPME[dnp]K amide cleavage after 30 mins by fluorescence plate reader analysis				Bioorg Med Chem 22: 419-34 (2013) Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9
Microbiotix, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Antrax lethal toxin (Bacillus anthracis)	BDBM50444735 (CHEMBL3099031) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 100 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plo...				Bioorg Med Chem 22: 419-34 (2013) Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9
Microbiotix, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50444735 (CHEMBL3099031) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Inhibition of Clostridium bolulinum BoNT/A assessed as cleavage of MOCAc-Lys-Lys-Val-Tyr-Pro-Tyr-Pro-Met-Glu-Lys(Dnp)-NH2 after 40 mins by FRET assay				Bioorg Med Chem 22: 419-34 (2013) Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9
Microbiotix, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Antrax lethal toxin (Bacillus anthracis)	BDBM50444735 (CHEMBL3099031) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 25 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot...				Bioorg Med Chem 22: 419-34 (2013) Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9
Microbiotix, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair