Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ras-related C3 botulinum toxin substrate 1' and Ligand = 'BDBM54623'   

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)	BDBM54623 (1-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-met...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1cc(Cl)ccc1Cl)c1ccc(F)cc1 |c:11| Show InChI InChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-15(5-10-18)21-13-20(14-2-7-17(25)8-3-14)26-27(21)22-12-16(23)6-11-19(22)24/h2-12,21H,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	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/Q25D8Q8M
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54623 (1-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-met...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1cc(Cl)ccc1Cl)c1ccc(F)cc1 |c:11| Show InChI InChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-15(5-10-18)21-13-20(14-2-7-17(25)8-3-14)26-27(21)22-12-16(23)6-11-19(22)24/h2-12,21H,13H2,1H3	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
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54623 (1-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-met...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1cc(Cl)ccc1Cl)c1ccc(F)cc1 |c:11| Show InChI InChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-15(5-10-18)21-13-20(14-2-7-17(25)8-3-14)26-27(21)22-12-16(23)6-11-19(22)24/h2-12,21H,13H2,1H3	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	89	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