BDBM50360405 CHEMBL1933876

SMILES: Clc1ncc(cc1\C=C(/C#N)c1nc2ccccc2[nH]1)-c1ccccc1

InChI Key: InChIKey=COBFBCVDBBURDL-MHWRWJLKSA-N

Data: 2 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 = 50360405   

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
Antrax lethal toxin (Bacillus anthracis)	BDBM50360405 (CHEMBL1933876) Show SMILES Clc1ncc(cc1\C=C(/C#N)c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C21H13ClN4/c22-20-15(11-17(13-24-20)14-6-2-1-3-7-14)10-16(12-23)21-25-18-8-4-5-9-19(18)26-21/h1-11,13H,(H,25,26)/b16-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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 using MCA-KKVYPYPME[dnp]Kamide peptide substrate after 30 mins by FRET assay				Bioorg Med Chem 19: 7338-48 (2011) Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50360405 (CHEMBL1933876) Show SMILES Clc1ncc(cc1\C=C(/C#N)c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C21H13ClN4/c22-20-15(11-17(13-24-20)14-6-2-1-3-7-14)10-16(12-23)21-25-18-8-4-5-9-19(18)26-21/h1-11,13H,(H,25,26)/b16-10+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A light chain-mediated SNAP-25 substrate cleavage after 40 mins by FRET assay				Bioorg Med Chem 19: 7338-48 (2011) Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3
					More data for this Ligand-Target Pair