Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Ras-related C3 botulinum toxin substrate 1' and Ligand = 'BDBM54571'   

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)	BDBM54571 (1-[4-(4-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(F)cc2)n1 Show InChI InChI=1S/C22H23FN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	80	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/Q2PC30TH
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54571 (1-[4-(4-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(F)cc2)n1 Show InChI InChI=1S/C22H23FN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	150	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/Q2JS9NV0
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54571 (1-[4-(4-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(F)cc2)n1 Show InChI InChI=1S/C22H23FN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.59E+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 (2009) BindingDB Entry DOI: 10.7270/Q2PK0DK8
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54571 (1-[4-(4-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(F)cc2)n1 Show InChI InChI=1S/C22H23FN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	912	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/Q2T43RHD
					More data for this Ligand-Target Pair