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ChEMBL ligand: CHEMBL219568 (2-aminohypoxanthine, Ci 75170, C.i. no. 75170 (guanine), Guanine, Valacyclovir hydrochloride, guanine-, Valganciclovir hydrochloride impurity b) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3217379] [UniProtKB: P26281] | ||||||||
ChEMBL | Binding affinity to GST-tagged Escherichia coli HPPK expressed in Escherichia coli by SPR assay based alternative equilibrium affinity method in presence of AMP-CPP | B | 4.42 | pKd | 38000 | nM | Kd | Bioorg Med Chem (2014) 22: 2157-2165 [PMID:24613625] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 | F | 4.22 | pIC50 | 60000 | nM | IC50 | J Med Chem (2006) 49: 7479-7486 [PMID:17149876] |
ChEMBL | Inhibition of [3H]hypoxanthine uptake in Plasmodium falciparum 3D7 | F | 4.45 | pIC50 | 35300 | nM | IC50 | J Med Chem (2006) 49: 7479-7486 [PMID:17149876] |
purine nucleoside phosphorylase/Purine nucleoside phosphorylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4338] [GtoPdb: 2841] [UniProtKB: P00491] | ||||||||
ChEMBL | Competitive inhibition of human erythrocyte purine nucleoside phosphorylase assessed as inhibition of guanosine phosphorylysis after 30 mins by Lineweaver-Burk plot analysis | B | 5.3 | pKi | 5000 | nM | Ki | J Med Chem (1978) 21: 877-882 [PMID:31484] |
ChEMBL | Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate | B | 5.3 | pIC50 | 5000 | nM | IC50 | J Med Chem (1986) 29: 2034-2037 [PMID:3093681] |
Purine nucleoside phosphorylase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2935] [UniProtKB: P55859] | ||||||||
ChEMBL | Binding affinity to calf recombinant PNP Phe159Trp mutant expressed in Escherichia coli BL21 (DE3) by fluorimetric titration analysis | B | 5.48 | pKd | 3300 | nM | Kd | Bioorg Med Chem (2012) 20: 6758-6769 [PMID:23040896] |
ChEMBL | Binding affinity to calf recombinant PNP Phe200Trp mutant expressed in Escherichia coli BL21 (DE3) by fluorimetric titration analysis | B | 6.8 | pKd | 160 | nM | Kd | Bioorg Med Chem (2012) 20: 6758-6769 [PMID:23040896] |
ChEMBL | Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by fluorimetric titration analysis | B | 6.8 | pKd | 160 | nM | Kd | Bioorg Med Chem (2012) 20: 6758-6769 [PMID:23040896] |
ChEMBL | Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry | B | 6.92 | pKd | 120 | nM | Kd | Bioorg Med Chem (2012) 20: 6758-6769 [PMID:23040896] |
purine nucleoside phosphorylase/Purine-nucleoside phosphorylase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2395] [GtoPdb: 2841] [UniProtKB: P85973] | ||||||||
ChEMBL | Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP) | B | 5.3 | pKi | 5000 | nM | Ki | J Med Chem (1994) 37: 2477-2480 [PMID:8057293] |
Shiga toxin subunit A in Shigella dysenteriae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3879822] [UniProtKB: Q9FBI2] | ||||||||
ChEMBL | Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit in African green monkey Vero cells assessed as inhibition of Stx-induced cytotoxicity pre-treated with compound for 1 hr followed by Stx exposure for 24 hrs by neutral red uptake assay | B | 4.94 | pIC50 | 11500 | nM | IC50 | J Med Chem (2016) 59: 10763-10773 [PMID:27933947] |
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]