BDBM50149466 CHEMBL124416::Sodium; (R)-6-[1-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-meth-(Z)-ylidene]-7-oxo-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\c1cc2CCCn2n1

InChI Key: InChIKey=YJSNNWLWFJHTLH-DJTUGOFGSA-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 = 50149466   

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
Beta-lactamase (Enterobacter cloacae)	BDBM50149466 (CHEMBL124416 | Sodium; (R)-6-[1-(5,6-dihydro-4H-py...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S/c17-11-9(12-16(11)10(6-20-12)13(18)19)5-7-4-8-2-1-3-15(8)14-7/h4-6,12H,1-3H2,(H,18,19)/p-1/b9-5-/t12-/m1/s1	KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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
Beta-lactamase TEM (Escherichia coli)	BDBM50149466 (CHEMBL124416 | Sodium; (R)-6-[1-(5,6-dihydro-4H-py...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S/c17-11-9(12-16(11)10(6-20-12)13(18)19)5-7-4-8-2-1-3-15(8)14-7/h4-6,12H,1-3H2,(H,18,19)/p-1/b9-5-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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 (Escherichia coli)	BDBM50149466 (CHEMBL124416 | Sodium; (R)-6-[1-(5,6-dihydro-4H-py...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S/c17-11-9(12-16(11)10(6-20-12)13(18)19)5-7-4-8-2-1-3-15(8)14-7/h4-6,12H,1-3H2,(H,18,19)/p-1/b9-5-/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	2	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
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50149466 (CHEMBL124416 | Sodium; (R)-6-[1-(5,6-dihydro-4H-py...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S/c17-11-9(12-16(11)10(6-20-12)13(18)19)5-7-4-8-2-1-3-15(8)14-7/h4-6,12H,1-3H2,(H,18,19)/p-1/b9-5-/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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