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 type 2 (Klebsiella pneumoniae) | BDBM50174181 (CHEMBL3809806) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwest University Curated by ChEMBL | Assay Description Mixed type inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of c... | ACS Med Chem Lett 7: 413-7 (2016) Article DOI: 10.1021/acsmedchemlett.5b00495 BindingDB Entry DOI: 10.7270/Q2GQ70PT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae) | BDBM50131078 (3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UiT The Arctic University of Norway Curated by ChEMBL | Assay Description Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS | Bioorg Med Chem 24: 2947-2953 (2016) Article DOI: 10.1016/j.bmc.2016.04.064 BindingDB Entry DOI: 10.7270/Q2XS5X91 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae) | BDBM50174175 (CHEMBL3808813) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwest University Curated by ChEMBL | Assay Description Mixed type inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of c... | ACS Med Chem Lett 7: 413-7 (2016) Article DOI: 10.1021/acsmedchemlett.5b00495 BindingDB Entry DOI: 10.7270/Q2GQ70PT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae) | BDBM50452815 (CHEMBL2005280) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | 5.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhengzhou University Curated by ChEMBL | Assay Description Non-competitive inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy based L-B plot | Bioorg Med Chem Lett 28: 214-221 (2018) Article DOI: 10.1016/j.bmcl.2017.10.074 BindingDB Entry DOI: 10.7270/Q20R9S04 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae) | BDBM50452814 (CHEMBL4212352) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 5.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhengzhou University Curated by ChEMBL | Assay Description Non-competitive inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy based L-B plot | Bioorg Med Chem Lett 28: 214-221 (2018) Article DOI: 10.1016/j.bmcl.2017.10.074 BindingDB Entry DOI: 10.7270/Q20R9S04 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae) | BDBM50548231 (CHEMBL4753599) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of wild type N-terminal His6-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21 assessed as inhibition constant using n... | Citation and Details Article DOI: 10.1016/j.ejmech.2018.06.007 BindingDB Entry DOI: 10.7270/Q2SB49CC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae) | BDBM426626 (US10543221, Compound 994942 | US10543221, Formula ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida; The Regents of the University of California US Patent | Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot... | US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae) | BDBM50131078 (3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UiT The Arctic University of Norway Curated by ChEMBL | Assay Description Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS ... | Bioorg Med Chem 24: 2947-2953 (2016) Article DOI: 10.1016/j.bmc.2016.04.064 BindingDB Entry DOI: 10.7270/Q2XS5X91 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae) | BDBM426620 (US10543221, Compound 72588 | US10543221, Formula ) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB US Patent | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida; The Regents of the University of California US Patent | Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot... | US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae) | BDBM50129065 (CHEMBL3278535) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 1.86E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UiT The Arctic University of Norway Curated by ChEMBL | Assay Description Competitive inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate | Bioorg Med Chem Lett 26: 1973-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae) | BDBM50129065 (CHEMBL3278535) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 1.86E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UiT The Arctic University of Norway Curated by ChEMBL | Assay Description Competitive inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate | Bioorg Med Chem Lett 26: 1973-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX | |||||||||||
More data for this Ligand-Target Pair |