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 = 'BDBM54679'   

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)	BDBM54679 ((3E)-4-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...) Show SMILES Brc1cccc2NC(=O)\C(=C3/Cc4ccccc4C3=O)c12 Show InChI InChI=1S/C17H10BrNO2/c18-12-6-3-7-13-15(12)14(17(21)19-13)11-8-9-4-1-2-5-10(9)16(11)20/h1-7H,8H2,(H,19,21)/b14-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	1.13E+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/Q2RB7317
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54679 ((3E)-4-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...) Show SMILES Brc1cccc2NC(=O)\C(=C3/Cc4ccccc4C3=O)c12 Show InChI InChI=1S/C17H10BrNO2/c18-12-6-3-7-13-15(12)14(17(21)19-13)11-8-9-4-1-2-5-10(9)16(11)20/h1-7H,8H2,(H,19,21)/b14-11+	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	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/Q24M92ZV
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54679 ((3E)-4-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...) Show SMILES Brc1cccc2NC(=O)\C(=C3/Cc4ccccc4C3=O)c12 Show InChI InChI=1S/C17H10BrNO2/c18-12-6-3-7-13-15(12)14(17(21)19-13)11-8-9-4-1-2-5-10(9)16(11)20/h1-7H,8H2,(H,19,21)/b14-11+	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	1.21E+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/Q2W37TR5
					More data for this Ligand-Target Pair