clavulanic acid [Ligand Id: 11128] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL777 (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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
