Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 297.4 BDBM76622Purchase

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

Found 4 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))	BDBM76622 ((4-benzoxyphenyl)-pyrrolidino-methanethione | (4-p...) Show SMILES S=C(N1CCCC1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H19NOS/c21-18(19-12-4-5-13-19)16-8-10-17(11-9-16)20-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.69E+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
Caspase-3 (Homo sapiens (Human))	BDBM76622 ((4-benzoxyphenyl)-pyrrolidino-methanethione | (4-p...) Show SMILES S=C(N1CCCC1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H19NOS/c21-18(19-12-4-5-13-19)16-8-10-17(11-9-16)20-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2	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	8.38E+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
Fructose-bisphosphate aldolase (Mycobacterium tuberculosis (strain H37Rv))	BDBM76622 ((4-benzoxyphenyl)-pyrrolidino-methanethione | (4-p...) Show SMILES S=C(N1CCCC1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H19NOS/c21-18(19-12-4-5-13-19)16-8-10-17(11-9-16)20-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q25719N6
					More data for this Ligand-Target Pair
Sentrin-specific protease 6 (Homo sapiens (Human))	BDBM76622 ((4-benzoxyphenyl)-pyrrolidino-methanethione | (4-p...) Show SMILES S=C(N1CCCC1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H19NOS/c21-18(19-12-4-5-13-19)16-8-10-17(11-9-16)20-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.11E+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