Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ras-related C3 botulinum toxin substrate 1' and Ligand = 'BDBM43259'   

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
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM43259 (MLS000621545 | N-({[4-({[amino(imino)methyl]amino}...) Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C16H15N5O5S2/c17-15(18)21-28(23,24)11-4-2-10(3-5-11)19-16(27)20-14(22)9-1-6-12-13(7-9)26-8-25-12/h1-7H,8H2,(H4,17,18,21)(H2,19,20,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2377749
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