Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 330.3 BDBM76722Purchase

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

Found 3 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
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM76722 (2-(3H-benzimidazole-5-carbonylamino)-4-methyl-thia...) Show SMILES CCOC(=O)c1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1C Show InChI InChI=1S/C15H14N4O3S/c1-3-22-14(21)12-8(2)18-15(23-12)19-13(20)9-4-5-10-11(6-9)17-7-16-10/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MS3R7H
					More data for this Ligand-Target Pair
Sentrin-specific protease 6 (Homo sapiens (Human))	BDBM76722 (2-(3H-benzimidazole-5-carbonylamino)-4-methyl-thia...) Show SMILES CCOC(=O)c1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1C Show InChI InChI=1S/C15H14N4O3S/c1-3-22-14(21)12-8(2)18-15(23-12)19-13(20)9-4-5-10-11(6-9)17-7-16-10/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27H1H10
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM76722 (2-(3H-benzimidazole-5-carbonylamino)-4-methyl-thia...) Show SMILES CCOC(=O)c1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1C Show InChI InChI=1S/C15H14N4O3S/c1-3-22-14(21)12-8(2)18-15(23-12)19-13(20)9-4-5-10-11(6-9)17-7-16-10/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RJ4GZT
					More data for this Ligand-Target Pair