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 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 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]
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]
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 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]