Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 319.2 BDBM81294Purchase

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
cAMP-dependent protein kinase type I-alpha regulatory subunit (Bos taurus)	BDBM81294 (3-[(2,4-dichlorobenzyl)sulfanyl]-2-thiophenecarbox...) Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(9(14)5-8)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.14E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q29Z93B6
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase type II-beta regulatory subunit (Homo sapiens (Human))	BDBM81294 (3-[(2,4-dichlorobenzyl)sulfanyl]-2-thiophenecarbox...) Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(9(14)5-8)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)	PDB MMDB 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	6.69E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KH0KSD
					More data for this Ligand-Target Pair