PBIT [Ligand Id: 7026] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1336959 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Caspase 3/Caspase-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2334] [GtoPdb: 1619] [UniProtKB: P42574] | ||||||||
| ChEMBL | Inhibition of recombinant human caspase-3 using Ac-LDEVD-AMC as substrate assessed as accumulation of 7-AMC incubated for 10 mins followed by substrate addition measured for 10 mins by fluorimetric analysis | B | 6.33 | pIC50 | 465.7 | nM | IC50 | Bioorg Med Chem (2013) 21: 2960-2967 [PMID:23632366] |
| lysine demethylase 5B/Lysine-specific demethylase 5B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3774295] [GtoPdb: 2681] [UniProtKB: Q9UGL1] | ||||||||
| GtoPdb | - | - | 5.52 | pIC50 | 3000 | nM | IC50 | J Biol Chem (2013) 288: 9408-17 [PMID:23408432] |
| ChEMBL | Inhibition of KDM5B (unknown origin) | B | 5.52 | pIC50 | 3000 | nM | IC50 | Eur J Med Chem (2019) 161: 131-140 [PMID:30343192] |
| ChEMBL | Inhibition of KDM5B (unknown origin) | B | 5.52 | pIC50 | 3000 | nM | IC50 | Eur J Med Chem (2020) 208: 112760-112760 [PMID:32883639] |
| Mannose-6-phosphate isomerase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2758] [UniProtKB: P34949] | ||||||||
| ChEMBL | Inhibition of human purified phosphomannose isomerase | B | 5.28 | pIC50 | 5200 | nM | IC50 | J Med Chem (2011) 54: 3661-3668 [PMID:21539312] |
| ChEMBL | Inhibition of phosphomannose isomerase (unknown origin) | B | 5.41 | pIC50 | 3900 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4308-4311 [PMID:25124115] |
| Phosphoethanolamine/phosphocholine phosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6113] [UniProtKB: Q8TCT1] | ||||||||
| ChEMBL | Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins | B | 5.89 | pIC50 | 1300 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4308-4311 [PMID:25124115] |
| Phosphomannomutase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741162] [UniProtKB: O15305] | ||||||||
| ChEMBL | Inhibition of PMM2 (unknown origin) | B | 4.52 | pIC50 | >30000 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4308-4311 [PMID:25124115] |
| ChEMBL | Inhibition of human purified PMM2 | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2011) 54: 3661-3668 [PMID:21539312] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 after 72 hrs by SYBR Green-1 staining based fluorescence assay | F | 5.78 | pIC50 | 1660 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 1291-1295 [PMID:28159413] |
| CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
| ChEMBL | Inhibition of SARS CoV-2 Main protease using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 peptide as substrate by fluorescence based analysis | B | 6.48 | pIC50 | 330 | nM | IC50 | J Med Chem (2021) 64: 16922-16955 [PMID:34798775] |
| lysine demethylase 5A in Human [GtoPdb: 2680] [UniProtKB: P29375] | ||||||||
| GtoPdb | - | - | 5.22 | pIC50 | 6000 | nM | IC50 | J Biol Chem (2013) 288: 9408-17 [PMID:23408432] |
| lysine demethylase 5C in Human [GtoPdb: 2682] [UniProtKB: P41229] | ||||||||
| GtoPdb | - | - | 5.31 | pIC50 | 4900 | nM | IC50 | J Biol Chem (2013) 288: 9408-17 [PMID:23408432] |
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]
