Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.5 BDBM50076671

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
Beta-lactamase (Escherichia coli)	BDBM50076671 ((4R,6S)-3-{(2R,3R)-2-[((S)-1-Carboxy-2-methyl-prop...) Show SMILES CC(C)[C@H](NC[C@H]1OCC[C@H]1SC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O)C(O)=O |t:13| Show InChI InChI=1S/C20H30N2O7S/c1-8(2)14(19(25)26)21-7-11-12(5-6-29-11)30-17-9(3)15-13(10(4)23)18(24)22(15)16(17)20(27)28/h8-15,21,23H,5-7H2,1-4H3,(H,25,26)(H,27,28)/t9-,10-,11-,12-,13-,14+,15?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 991-6 (1999) BindingDB Entry DOI: 10.7270/Q2TB163Q
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50076671 ((4R,6S)-3-{(2R,3R)-2-[((S)-1-Carboxy-2-methyl-prop...) Show SMILES CC(C)[C@H](NC[C@H]1OCC[C@H]1SC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O)C(O)=O |t:13| Show InChI InChI=1S/C20H30N2O7S/c1-8(2)14(19(25)26)21-7-11-12(5-6-29-11)30-17-9(3)15-13(10(4)23)18(24)22(15)16(17)20(27)28/h8-15,21,23H,5-7H2,1-4H3,(H,25,26)(H,27,28)/t9-,10-,11-,12-,13-,14+,15?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against TEM-1 (class A) beta-lactamase				Bioorg Med Chem Lett 9: 991-6 (1999) BindingDB Entry DOI: 10.7270/Q2TB163Q
					More data for this Ligand-Target Pair