clavulanic acid [Ligand Id: 11128] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL777 (Acide clavulanique, Acido clavulanico, BRL 14151, BRL-14151, Clavulanate, Clavulanic acid, Clavulanic Acid, RX-10100, Serdaxin) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Bacterial beta-lactamase TEM in Bacteria (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2364670] [UniProtKB: P62593] | ||||||||
| ChEMBL | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by determining the concentration of inhibitor at which 50% of the nitrocefin hydrolysis is inhibited by the particular enzyme. Assays are performed with beta -lactamases expressed in the pET system (Novagen, San Diego, Calif.) without signal peptides. They contain an N-terminal hexa-Histidine tag that is used for purification on Ni-NTA (Qiagen, Hilden, Germany). The compounds are prepared as 50 mM stocks in DMSO and diluted into buffer P1 (50 mM phosphate, pH 7) to a final concentration of 10% DMSO. All further dilutions are done in P2 (P1 with 10% DMSO). Enzyme and compound dilutions are pre-incubated for 10 min at 37 C. and the reaction is started with the addition of pre-warmed (37 C.) nitrocefin at a final concentration of 50 mM. The change in absorption at 490 nm is followed at 37 C. for 10 min with 30 s intervals. | B | 7.53 | pIC50 | 29.5 | nM | IC50 | US-9120808-B2. Substituted clavulanic acid (2015) |
| Beta-lactamase in Pseudomonas aeruginosa (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3885668] [UniProtKB: D2SSQ3] | ||||||||
| ChEMBL | Inhibition of Pseudomonas aeruginosa 531 beta-lactamase BEL-2 | B | 7 | pIC50 | 100 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 533-535 [PMID:19884378] |
| Beta-lactamase in Enterobacter cloacae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2725] [UniProtKB: P05364] | ||||||||
| ChEMBL | Compound was evaluated for beta-lactamase inhibition activity of Enterobacter cloacae after 15 min of pre-incubation with the enzyme at 37 degree C | B | 4 | pIC50 | 100000 | nM | IC50 | Bioorg Med Chem Lett (1997) 7: 2217-2222 |
| ChEMBL | Inhibition of Enterobacter cloacae beta-lactamase P99 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation | B | 4 | pIC50 | >100000 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 5132-5138 [PMID:20921316] |
| ChEMBL | Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae P99 | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1513-1518 |
| ChEMBL | Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae SC 12368 E-2 | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1513-1518 |
| Beta-lactamase in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4114] [UniProtKB: P00807] | ||||||||
| ChEMBL | Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate | B | 7.1 | pIC50 | 80 | nM | IC50 | J Med Chem (1987) 30: 1469-1474 [PMID:3039137] |
| Beta-lactamase in Pseudomonas luteola (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3308938] [UniProtKB: Q670S6] | ||||||||
| ChEMBL | Inhibition of Pseudomonas luteola LAM Beta-lactamase LUT-1 | B | 7.44 | pIC50 | 36 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 45-51 [PMID:19884377] |
| Beta-lactamase in Bacillus clausii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5439] [UniProtKB: A8RR46] | ||||||||
| ChEMBL | Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3) | B | 7.07 | pIC50 | 85 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4009-4014 [PMID:17846134] |
| Beta-lactamase in Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5031] [UniProtKB: P24735] | ||||||||
| ChEMBL | Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation | B | 4 | pIC50 | >100000 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 5132-5138 [PMID:20921316] |
| ChEMBL | Inhibitory concentration was evaluated as concentration required for 50% inhibition of Pseudomonas aeruginosa 18SH Beta-lactamase | B | 6.1 | pIC50 | 800 | nM | IC50 | J Med Chem (1998) 41: 3961-3971 [PMID:9767633] |
| Beta-lactamase AmpC in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2026] [UniProtKB: P00811] | ||||||||
| ChEMBL | Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase | B | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (1998) 41: 3961-3971 [PMID:9767633] |
| ChEMBL | Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase | B | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (1998) 41: 3961-3971 [PMID:9767633] |
| Beta-lactamase bla(BEL1) in Pseudomonas aeruginosa (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3885670] [UniProtKB: Q3SAW3] | ||||||||
| ChEMBL | Inhibition of Pseudomonas aeruginosa 51170 beta-lactamase BEL-1 | B | 7 | pIC50 | 100 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 533-535 [PMID:19884378] |
| Beta-lactamase class C in Enterobacter cloacae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3499] [UniProtKB: Q59401] | ||||||||
| ChEMBL | The compound was tested for its inhibitory activity towards Class C beta-lactamase from Enterobacter cloacae 908R at 0.8 umol concentration | B | 4 | pIC50 | 100000 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 971-975 [PMID:11959006] |
| Beta-lactamase CTX-M in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6131] [UniProtKB: Q9EXV5] | ||||||||
| ChEMBL | Inhibition of Escherichia coli CTX-M-15 | B | 8.05 | pIC50 | 9 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 3089-3095 [PMID:17591851] |
| Beta-lactamase GES-13 in Pseudomonas aeruginosa (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250341] [UniProtKB: D1MIX9] | ||||||||
| ChEMBL | Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase | B | 7 | pIC50 | 100 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 1331-1333 [PMID:20065056] |
| Beta-lactamase OXA-1 in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4951] [UniProtKB: P13661] | ||||||||
| ChEMBL | Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from Escherichia coli OXA1 using ampicillin (40 uM) as a substrate | B | 5.49 | pIC50 | 3200 | nM | IC50 | J Med Chem (1987) 30: 1469-1474 [PMID:3039137] |
| Beta-lactamase SCO-1 in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075073] [UniProtKB: A1E3K9] | ||||||||
| ChEMBL | Inhibition of Escherichia coli beta-lactamase SCO1 | B | 7.15 | pIC50 | 70 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 2185-2188 [PMID:17353248] |
| Beta-lactamase SHV-1 in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5956] [UniProtKB: P0AD63] | ||||||||
| ChEMBL | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by determining the concentration of inhibitor at which 50% of the nitrocefin hydrolysis is inhibited by the particular enzyme. Assays are performed with beta -lactamases expressed in the pET system (Novagen, San Diego, Calif.) without signal peptides. They contain an N-terminal hexa-Histidine tag that is used for purification on Ni-NTA (Qiagen, Hilden, Germany). The compounds are prepared as 50 mM stocks in DMSO and diluted into buffer P1 (50 mM phosphate, pH 7) to a final concentration of 10% DMSO. All further dilutions are done in P2 (P1 with 10% DMSO). Enzyme and compound dilutions are pre-incubated for 10 min at 37 C. and the reaction is started with the addition of pre-warmed (37 C.) nitrocefin at a final concentration of 50 mM. The change in absorption at 490 nm is followed at 37 C. for 10 min with 30 s intervals. | B | 7.52 | pIC50 | 30.3 | nM | IC50 | US-9120808-B2. Substituted clavulanic acid (2015) |
| ChEMBL | Inhibition of Escherichia coli SHV1 | B | 7.55 | pIC50 | 28 | nM | IC50 | J Med Chem (2007) 50: 4113-4121 [PMID:17665896] |
| Beta-lactamase SHV-1 in Klebsiella pneumoniae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5094] [UniProtKB: P0AD64] | ||||||||
| ChEMBL | Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1 | B | 6.77 | pIC50 | 170 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 1806-1811 [PMID:18316518] |
| ChEMBL | Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1 | B | 6.77 | pIC50 | 170 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 1897-1898 [PMID:18316524] |
| Beta-lactamase SHV-5 in Klebsiella pneumoniae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075174] [UniProtKB: P0A3M1] | ||||||||
| ChEMBL | Inhibition of Klebsiella pneumoniae beta-lactamase SHV-105 | B | 4.6 | pKi | 25360 | nM | Ki | Med Chem Res (2012) 21: 2229-2237 |
| Beta-lactamase SHV-55 in Klebsiella pneumoniae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1255144] [UniProtKB: Q4TVR4] | ||||||||
| ChEMBL | Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-55 | B | 7.7 | pIC50 | 20 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 1897-1898 [PMID:18316524] |
| Beta-lactamase SHV-72 in Klebsiella pneumoniae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1255121] [UniProtKB: A0ZX81] | ||||||||
| ChEMBL | Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-72 | B | 5.76 | pIC50 | 1720 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 1806-1811 [PMID:18316518] |
| Beta-lactamase TEM in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2065] [UniProtKB: P62593] | ||||||||
| ChEMBL | Inhibition constant (Ki) for TEM-1 beta-lactamase | B | 6.1 | pKi | 800 | nM | Ki | J Med Chem (1988) 31: 370-374 [PMID:3257523] |
| ChEMBL | The compound was tested for its inhibitory activity towards Class A TEM-1 beta-lactamase from Escherichia coli at 0.3 umol | B | 4.6 | pIC50 | 25000 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 971-975 [PMID:11959006] |
| ChEMBL | Inhibitory activity against Beta-lactamase type TEM2 (penicillinase) from Escherichia coli TEM2 using penicillin G (40 uM) as a substrate | B | 4.68 | pIC50 | 21000 | nM | IC50 | J Med Chem (1987) 30: 1469-1474 [PMID:3039137] |
| ChEMBL | Inhibition of Escherichia coli K12 TEM1 | B | 6.77 | pIC50 | 170 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 2185-2188 [PMID:17353248] |
| ChEMBL | Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-1 | B | 7.1 | pIC50 | 80 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4181-4183 [PMID:17709463] |
| ChEMBL | Inhibitory activity against beta-Lactamase enzyme derived from Escherichia coli WC3310 TEM-2 | B | 7.22 | pIC50 | 60 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1513-1518 |
| ChEMBL | Compound was evaluated for beta-lactamase inhibition activity of Escherichia coli after 15 min of pre-incubation with the enzyme at 37 degree C | B | 7.4 | pIC50 | 40 | nM | IC50 | Bioorg Med Chem Lett (1997) 7: 2217-2222 |
| ChEMBL | Inhibition of Escherichia coli TEM1 | B | 7.52 | pIC50 | 30 | nM | IC50 | J Med Chem (2007) 50: 4113-4121 [PMID:17665896] |
| Beta-lactamase TEM-125 in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5041] [UniProtKB: Q6GWS8] | ||||||||
| ChEMBL | Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-158 | B | 5.07 | pIC50 | 8600 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4181-4183 [PMID:17709463] |
| Carbapenem-hydrolizing beta-lactamase SFC-1 in Serratia fonticola (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5042] [UniProtKB: Q6JP75] | ||||||||
| ChEMBL | Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE | B | 4.14 | pIC50 | 72800 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4512-4514 [PMID:17875998] |
| Carbepenem-hydrolyzing beta-lactamase KPC in Klebsiella pneumoniae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6132] [UniProtKB: Q9F663] | ||||||||
| ChEMBL | Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay | B | 4.96 | pKi | 11000 | nM | Ki | Antimicrob Agents Chemother (2010) 54: 2867-2877 [PMID:20421396] |
| ChEMBL | Inhibition of carbapenem-resistant Klebsiella pneumoniae carbepenem-hydrolyzing beta-lactamase KPC-1 | B | 4.98 | pIC50 | 10500 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 328-332 [PMID:19901091] |
| Class D beta-lactamase in Brachyspira pilosicoli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1255145] [UniProtKB: Q50H31] | ||||||||
| ChEMBL | Inhibition of Brachyspira pilosicoli beta-lactamase OXA-63 expressed in Escherichia coli BL21 (DE3) assessed as reduction in nitrocefin hydrolysis by spectrophotometry relative to oxacillin | B | 5.7 | pIC50 | 2000 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 1264-1268 [PMID:18212108] |
| Extended-spectrum beta-lactamase CTX-M-53 in Salmonella enterica subsp. enterica serovar Westhampton (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1667678] [UniProtKB: Q2XPY6] | ||||||||
| ChEMBL | Inhibition of Salmonella enterica serotype Westhampton beta-lactamase CTX-M-53 | B | 8 | pIC50 | 10 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 1944-1951 [PMID:19273683] |
| Gil1 in Citrobacter gillenii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075063] [UniProtKB: A4KCT8] | ||||||||
| ChEMBL | Inhibition of Citrobacter gillenii CIP 106783 Beta-lactamase GIL1 expressed in Escherichia coli DH10B | B | 8.05 | pIC50 | 9 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 1365-1372 [PMID:17242148] |
| elastase, neutrophil expressed/Leukocyte elastase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL248] [GtoPdb: 2358] [UniProtKB: P08246] | ||||||||
| ChEMBL | Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme | B | 4.4 | pIC50 | <40000 | nM | IC50 | J Med Chem (1990) 33: 2513-2521 [PMID:2391691] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
