iclaprim [Ligand Id: 10820] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL134561 (AR-100, Iclaprim, Ro-482622, RO 48-2622, RO-48-2622) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1809] [UniProtKB: P0ABQ4] | ||||||||
| ChEMBL | Inhibition of Escherichia coli dihydrofolate reductase (DHFR) enzyme by trimethoprim (TMP) | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 4217-4221 [PMID:14623005] |
| Dihydrofolate reductase in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1681620] [UniProtKB: P0A017] | ||||||||
| ChEMBL | Inhibition of TMP-resistant Staphylococcus aureus DHFR F99Y mutant assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry | B | 9.05 | pKi | 0.9 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 5171-5176 [PMID:21831637] |
| ChEMBL | Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry | B | 10.09 | pKi | 0.08 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 5171-5176 [PMID:21831637] |
| ChEMBL | Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH | B | 10.1 | pKi | 0.08 | nM | Ki | J Med Chem (2014) 57: 651-668 [PMID:24428639] |
| ChEMBL | Inhibition of Staphylococcus aureus DHFR F98Y mutant by MTS assay | B | 7.57 | pIC50 | 27 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3825-3833 [PMID:20606069] |
| ChEMBL | Inhibition of Staphylococcus aureus dihydrofolate reductase (DHFR) enzyme by trimethoprim (TMP) | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 4217-4221 [PMID:14623005] |
| ChEMBL | Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay | B | 8.59 | pIC50 | 2.6 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3825-3833 [PMID:20606069] |
| ChEMBL | Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay | B | 8.66 | pIC50 | 2.2 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 3825-3833 [PMID:20606069] |
| Dihydrofolate reductase in Pneumocystis carinii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1926] [UniProtKB: P16184] | ||||||||
| ChEMBL | Inhibition of Pneumocystis carinii dihydrofolate reductase (DHFR) enzyme by trimethoprim (TMP) | B | 5.62 | pIC50 | 2400 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 4217-4221 [PMID:14623005] |
| dihydrofolate reductase/Dihydrofolate reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374] | ||||||||
| GtoPdb | - | - | 6.11 | pKi | 775 | nM | Ki | |
| ChEMBL | Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry | B | 6.11 | pKi | 775 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 5171-5176 [PMID:21831637] |
| ChEMBL | Inhibition of human DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH | B | 6.11 | pKi | 775 | nM | Ki | J Med Chem (2014) 57: 651-668 [PMID:24428639] |
| ChEMBL | Inhibition of Human dihydrofolate reductase (DHFR) enzyme by Iclaprim | B | 4.52 | pIC50 | >30000 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 4217-4221 [PMID:14623005] |
| ChEMBL | Inhibition of Streptococcus pneumoniae dihydrofolate reductase (DHFR) enzyme by trimethoprim (TMP) | B | 8.1 | pIC50 | 8 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 4217-4221 [PMID:14623005] |
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]
