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 = 'BDBM46330'   

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)	BDBM46330 (MLS000335629 | N-[2-(4-chlorophenyl)ethyl]-2-(7-ni...) Show SMILES [O-][N+](=O)c1ccc2c(OCC(=O)NCCc3ccc(Cl)cc3)ncnc2c1 Show InChI InChI=1S/C18H15ClN4O4/c19-13-3-1-12(2-4-13)7-8-20-17(24)10-27-18-15-6-5-14(23(25)26)9-16(15)21-11-22-18/h1-6,9,11H,7-8,10H2,(H,20,24)	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	5.41E+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
					More data for this Ligand-Target Pair