Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 356.4 BDBM43225Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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)	BDBM43225 (4-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanyl-...) Show SMILES Cc1ccc(SC(CC(=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1 Show InChI InChI=1S/C21H24O3S/c1-14-5-11-17(12-6-14)25-19(20(23)24)13-18(22)15-7-9-16(10-8-15)21(2,3)4/h5-12,19H,13H2,1-4H3,(H,23,24)	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	1.23E+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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30S2
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM43225 (4-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanyl-...) Show SMILES Cc1ccc(SC(CC(=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1 Show InChI InChI=1S/C21H24O3S/c1-14-5-11-17(12-6-14)25-19(20(23)24)13-18(22)15-7-9-16(10-8-15)21(2,3)4/h5-12,19H,13H2,1-4H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.11E+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 (2010) BindingDB Entry DOI: 10.7270/Q22J698B
					More data for this Ligand-Target Pair