Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 346.3 BDBM50212640

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

Found 10 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 BRO-1 (Moraxella catarrhalis)	BDBM50212640 (CHEMBL423309) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.89	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Branhamella catarrhalis 89001 Class-III BRO-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Proteus mirabilis)	BDBM50212640 (CHEMBL423309) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	37.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50212640 (CHEMBL423309) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	72.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Escherichia coli HA58R Class-III TEM-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Citrobacter freundii)	BDBM50212640 (CHEMBL423309) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella oxytoca)	BDBM50212640 (CHEMBL423309) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Klebsiella oxytoca HC7 Class-IV K1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria))	BDBM50212640 (CHEMBL423309) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Escherichia coli HA209 Class-V OXA-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50212640 (CHEMBL423309) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	461	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Enterobacter cloacae HC8 Class-I beta-lactamase enzyme type P99				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50212640 (CHEMBL423309) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	461	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50212640 (CHEMBL423309) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	577	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Escherichia coli HA208 Class-III SHV-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50212640 (CHEMBL423309) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	721	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair