Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type F' and Ligand = 'BDBM91553'   

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 F (Clostridium botulinum Bf)	BDBM91553 (2-[3-(3,4-dimethoxyphenyl)-5-phenyl-2-pyrazolin-1-...) Show SMILES COc1ccc(cc1OC)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1 |t:11| Show InChI InChI=1S/C21H21N3O2S/c1-14-13-27-21(22-14)24-18(15-7-5-4-6-8-15)12-17(23-24)16-9-10-19(25-2)20(11-16)26-3/h4-11,13,18H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q22F7M0T
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