2(S)-amino-6-boronohexanoic acid [Ligand Id: 5107] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1812661 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Arginase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795149] [UniProtKB: Q8I384] | ||||||||
| ChEMBL | Binding affinity to Plasmodium falciparum arginase | B | 4.96 | pKd | 11000 | nM | Kd | J Med Chem (2011) 54: 5432-5443 [PMID:21728378] |
| ChEMBL | Inhibition of Plasmodium falciparum arginase using L-arginine as substrate by colorimetric assay | B | 5 | pKi | 10000 | nM | Ki | J Med Chem (2011) 54: 5432-5443 [PMID:21728378] |
| Arginase I/Arginase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075097] [GtoPdb: 1244] [UniProtKB: P05089] | ||||||||
| ChEMBL | Binding affinity to human arginase 1 using L-arginine as substrate by surface plasmon resonance assay | B | 7.74 | pKd | 18 | nM | Kd | J Med Chem (2011) 54: 5432-5443 [PMID:21728378] |
| GtoPdb | - | - | 8.3 | pKd | 5 | nM | Kd | J Am Chem Soc (1997) 119: 8107–8108 |
| ChEMBL | Binding affinity to human arginase 1 | B | 8.3 | pKd | 5 | nM | Kd | J Med Chem (2011) 54: 5432-5443 [PMID:21728378] |
| ChEMBL | Binding affinity to human Arg1 at pH 8.5 | B | 8.3 | pKd | 5 | nM | Kd | Bioorg Med Chem (2020) 28: 115658-115658 [PMID:32828425] |
| ChEMBL | Binding affinity to wild type human Arg I using L-arginine as substrate by liquid scintillation counting analysis | B | 8.3 | pKd | 5 | nM | Kd | J Med Chem (2021) 64: 17706-17727 [PMID:34875836] |
| ChEMBL | Inhibition of human Arginase I in human myeloid-derived suppressor cells using L-arginine as substrate assessed as L-ornithine product formation by measuring dissociation constant preincubated for 10 mins followed by ninhydrin solution and measured after 1 hrs by colorimetric assay | B | 8.3 | pKd | 5 | nM | Kd | Bioorg Med Chem Lett (2023) 84: 129193-129193 [PMID:36822300] |
| ChEMBL | Inhibition of recombinant human ARG1 expressed in CHO-K1 cells assessed as reduction in urea level incubated for 24 hrs by colorimetric assay | B | 4.77 | pIC50 | 16800 | nM | IC50 | RSC Med Chem (2020) 11: 559-568 [PMID:33479657] |
| ChEMBL | Inhibition of human recombinant arginase 1 expressed in Escherichia coli BL21 (DE3) assessed as reduction in urea production using L-arginine as substrate in presence of MnSO4 incubated for 60 mins by o-phthaldialdehyde/N-(1-naphthyl)ethylene-diamine dihydrochloride reagent based colorimetric assay | B | 5.81 | pIC50 | 1547 | nM | IC50 | J Med Chem (2019) 62: 8164-8177 [PMID:31408339] |
| ChEMBL | Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay | B | 5.83 | pIC50 | 1470 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4837-4841 [PMID:23886684] |
| ChEMBL | Inhibition of human Arg I | B | 5.84 | pIC50 | 1450 | nM | IC50 | J Med Chem (2021) 64: 17706-17727 [PMID:34875836] |
| ChEMBL | Inhibition of recombinant human arginase 1 using L-arginine as substrate measured after 60 mins in presence of manganese chloride by o-phthaldialdehyde/primaquine diphosphate reagent based colorimetric assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | ACS Med Chem Lett (2020) 11: 433-438 [PMID:32292546] |
| ChEMBL | Inhibition of human arginase1 in presence of DNTB by thio ornithine generation assay | B | 6.51 | pIC50 | 311 | nM | IC50 | ACS Med Chem Lett (2020) 11: 582-588 [PMID:32292567] |
| ChEMBL | Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate addition and incubated for 60 mins by fluorescence based arginine thio ornithine generating assay | B | 6.51 | pIC50 | 311 | nM | IC50 | ACS Med Chem Lett (2021) 12: 1380-1388 [PMID:34527178] |
| ChEMBL | Binding affinity to human ARG1 assessed as dissociation constant | B | 8.3 | pIC50 | 5 | nM | IC50 | Eur J Med Chem (2021) 218: 113356-113356 [PMID:33773287] |
| Arginase I/Arginase-1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3232699] [GtoPdb: 1244] [UniProtKB: P07824] | ||||||||
| ChEMBL | Inhibition of rat Arg1 at pH 7.4 | B | 6.1 | pIC50 | 800 | nM | IC50 | Bioorg Med Chem (2020) 28: 115658-115658 [PMID:32828425] |
| ChEMBL | Inhibition of rat liver arginase using L-arginine as substrate incubated for 10 mins followed by substrate addition by scintillation counting analysis | B | 6.1 | pIC50 | 800 | nM | IC50 | J Med Chem (2021) 64: 17706-17727 [PMID:34875836] |
| ChEMBL | Inhibition of rat ARG1 | B | 6.1 | pIC50 | 800 | nM | IC50 | Eur J Med Chem (2021) 218: 113356-113356 [PMID:33773287] |
| Arginase II/Arginase-2, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795148] [GtoPdb: 1245] [UniProtKB: P78540] | ||||||||
| GtoPdb | - | - | 8.07 | pKi | 8.5 | nM | Ki | Biochemistry (2001) 40: 9356-62 [PMID:11478904] |
| ChEMBL | Binding affinity to human arginase 2 | B | 8.07 | pKi | 8.5 | nM | Ki | J Med Chem (2011) 54: 5432-5443 [PMID:21728378] |
| ChEMBL | Inhibition of human Arg2 at pH 7.5 | B | 8.07 | pKi | 8.5 | nM | Ki | Bioorg Med Chem (2020) 28: 115658-115658 [PMID:32828425] |
| ChEMBL | Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay | B | 5.67 | pIC50 | 2150 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4837-4841 [PMID:23886684] |
| ChEMBL | Inhibition of human Arg II | B | 5.67 | pIC50 | 2150 | nM | IC50 | J Med Chem (2021) 64: 17706-17727 [PMID:34875836] |
| ChEMBL | Binding affinity to human ARG2 assessed as inhibition constant | B | 8.07 | pIC50 | 8.5 | nM | IC50 | Eur J Med Chem (2021) 218: 113356-113356 [PMID:33773287] |
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]
