BDBM50149469 CHEMBL331090::Sodium; (R)-7-oxo-6-[1-(5,6,7,8-tetrahydro-imidazo[1,2-a]pyrazin-3-yl)-meth-(Z)-ylidene]-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate

SMILES: [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12

InChI Key: InChIKey=KODABZGSORMKQV-CPWLGJMPSA-M

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50149469   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
IMI-1 (Enterobacter cloacae)	BDBM50149469 (CHEMBL331090 | Sodium; (R)-7-oxo-6-[1-(5,6,7,8-tet...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-4-15-10-5-14-1-2-16(7)10/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b8-3-/t12-/m1/s1	KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases				J Med Chem 47: 3674-88 (2004) Article DOI: 10.1021/jm049903j BindingDB Entry DOI: 10.7270/Q2MK6CCT
					More data for this Ligand-Target Pair
IMI-1 (Enterobacter cloacae)	BDBM50149469 (CHEMBL331090 | Sodium; (R)-7-oxo-6-[1-(5,6,7,8-tet...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-4-15-10-5-14-1-2-16(7)10/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b8-3-/t12-/m1/s1	KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Class A (TEM-1) beta-Lactamases				J Med Chem 47: 3674-88 (2004) Article DOI: 10.1021/jm049903j BindingDB Entry DOI: 10.7270/Q2MK6CCT
					More data for this Ligand-Target Pair
Beta-lactamase type II (Bacteroides fragilis)	BDBM50149469 (CHEMBL331090 | Sodium; (R)-7-oxo-6-[1-(5,6,7,8-tet...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-4-15-10-5-14-1-2-16(7)10/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b8-3-/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Class B (CCRA) beta-Lactamases				J Med Chem 47: 3674-88 (2004) Article DOI: 10.1021/jm049903j BindingDB Entry DOI: 10.7270/Q2MK6CCT
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50149469 (CHEMBL331090 | Sodium; (R)-7-oxo-6-[1-(5,6,7,8-tet...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-4-15-10-5-14-1-2-16(7)10/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b8-3-/t12-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Class C (Amp-C) beta-Lactamases				J Med Chem 47: 3674-88 (2004) Article DOI: 10.1021/jm049903j BindingDB Entry DOI: 10.7270/Q2MK6CCT
					More data for this Ligand-Target Pair