Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 293.7 BDBM76559Purchase

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 6 (Homo sapiens (Human))	BDBM76559 ((2-chlorophenyl)methyl 2-methylsulfanylpyridine-3-...) Show SMILES CSc1ncccc1C(=O)OCc1ccccc1Cl Show InChI InChI=1S/C14H12ClNO2S/c1-19-13-11(6-4-8-16-13)14(17)18-9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.06E+4	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))	BDBM76559 ((2-chlorophenyl)methyl 2-methylsulfanylpyridine-3-...) Show SMILES CSc1ncccc1C(=O)OCc1ccccc1Cl Show InChI InChI=1S/C14H12ClNO2S/c1-19-13-11(6-4-8-16-13)14(17)18-9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.44E+4	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
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM76559 ((2-chlorophenyl)methyl 2-methylsulfanylpyridine-3-...) Show SMILES CSc1ncccc1C(=O)OCc1ccccc1Cl Show InChI InChI=1S/C14H12ClNO2S/c1-19-13-11(6-4-8-16-13)14(17)18-9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.20E+4	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