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 = 'BDBM54624'   

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)	BDBM54624 (1-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxy...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1F)c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C22H18ClFN2O/c1-27-18-12-6-15(7-13-18)21-14-22(19-4-2-3-5-20(19)24)26(25-21)17-10-8-16(23)9-11-17/h2-13,22H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	3.26E+3	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/Q26D5RFF
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54624 (1-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxy...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1F)c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C22H18ClFN2O/c1-27-18-12-6-15(7-13-18)21-14-22(19-4-2-3-5-20(19)24)26(25-21)17-10-8-16(23)9-11-17/h2-13,22H,14H2,1H3	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/Q2959G0B
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54624 (1-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxy...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1F)c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C22H18ClFN2O/c1-27-18-12-6-15(7-13-18)21-14-22(19-4-2-3-5-20(19)24)26(25-21)17-10-8-16(23)9-11-17/h2-13,22H,14H2,1H3	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	3.59E+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