Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 233.3 BDBM50140665

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
Metallo-beta-lactamase L1 type 3 (Stenotrophomonas maltophilia)	BDBM50140665 ((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...) Show SMILES CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme				Bioorg Med Chem Lett 14: 1299-304 (2004) Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50140665 ((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...) Show SMILES CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme				Bioorg Med Chem Lett 14: 1299-304 (2004) Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50140665 ((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...) Show SMILES CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme				Bioorg Med Chem Lett 14: 1299-304 (2004) Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50140665 ((2S,5R,6R)-6-Mercapto-3,3-dimethyl-7-oxo-4-thia-1-...) Show SMILES CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C8H11NO3S2/c1-8(2)4(7(11)12)9-5(10)3(13)6(9)14-8/h3-4,6,13H,1-2H3,(H,11,12)/t3-,4+,6-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme				Bioorg Med Chem Lett 14: 1299-304 (2004) Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG
					More data for this Ligand-Target Pair