Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type A' and Ligand = 'BDBM50304911'   

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
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50304911 (1-(2,4-dichlorobenzyl)-1H-pyrrole-2,5-dione | CHEM...) Show SMILES Clc1ccc(CN2C(=O)C=CC2=O)c(Cl)c1 |c:9| Show InChI InChI=1S/C11H7Cl2NO2/c12-8-2-1-7(9(13)5-8)6-14-10(15)3-4-11(14)16/h1-5H,6H2	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A expressed in rat spinal cord neuron assessed as cleavage of target protein SNAP25 at 62.5 uM				Bioorg Med Chem Lett 20: 206-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.129 BindingDB Entry DOI: 10.7270/Q2H41RJ9
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50304911 (1-(2,4-dichlorobenzyl)-1H-pyrrole-2,5-dione | CHEM...) Show SMILES Clc1ccc(CN2C(=O)C=CC2=O)c(Cl)c1 |c:9| Show InChI InChI=1S/C11H7Cl2NO2/c12-8-2-1-7(9(13)5-8)6-14-10(15)3-4-11(14)16/h1-5H,6H2	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A expressed in rat spinal cord neuron assessed as cleavage of target protein SNAP25 at 125 uM				Bioorg Med Chem Lett 20: 206-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.129 BindingDB Entry DOI: 10.7270/Q2H41RJ9
					More data for this Ligand-Target Pair