Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ras-related C3 botulinum toxin substrate 1' and Ligand = 'BDBM54627'   

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)	BDBM54627 (4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-...) Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(F)cc1 |c:12| Show InChI InChI=1S/C23H22FN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3	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	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2959G0B
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54627 (4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-...) Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(F)cc1 |c:12| Show InChI InChI=1S/C23H22FN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3	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	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2B56H55
					More data for this Ligand-Target Pair