IPA-3 [Ligand Id: 8940] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL472940 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum D6 by [3H]hypoxanthine uptake | F | 5.14 | pIC50 | 7200 | nM | IC50 | J Med Chem (2009) 52: 952-963 [PMID:19191586] |
| ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum W2 by [3H]hypoxanthine uptake | F | 5.18 | pIC50 | 6600 | nM | IC50 | J Med Chem (2009) 52: 952-963 [PMID:19191586] |
| Replicase polyprotein 1ab in Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295557] [UniProtKB: K9N7C7] | ||||||||
| ChEMBL | MERS_3CL Pro protease inhibition IC50 by FRET kind of response from peptide substrate | F | 5 | pIC50 | >10000 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
| 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 full length SARS CoV-2 main protease expressed in Escherichia coli BL21 (DE3) expression system using Mca-AVLQSGFR-K(Dnp)K as substrate by fluorescence method | B | 5.63 | pIC50 | 2350 | nM | IC50 | J Med Chem (2022) 65: 9376-9395 [PMID:35709506] |
| ChEMBL | Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins by fluorescence based assay | B | 5.63 | pIC50 | 2350 | nM | IC50 | Eur J Med Chem (2023) 257: 115491-115491 [PMID:37244162] |
| ChEMBL | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate | F | 6.29 | pIC50 | 510 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
| p21 (RAC1) activated kinase 1/Serine/threonine-protein kinase PAK 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4600] [GtoPdb: 2133] [UniProtKB: Q13153] | ||||||||
| GtoPdb | - | - | 5.6 | pIC50 | 2500 | nM | IC50 | Chem Biol (2008) 15: 322-31 [PMID:18420139] |
| ChEMBL | Non-ATP competitive inhibition of full-length human PAK1 assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42, MBP, and mixture of ATP and [32P]-gamma-ATP addition measured after 20 mins by scintillation counting analysis | B | 5.6 | pIC50 | 2500 | nM | IC50 | ACS Med Chem Lett (2015) 6: 776-781 [PMID:26191365] |
| ChEMBL | Inhibition of PAK1 (unknown origin) | B | 6 | pIC50 | 1000 | nM | IC50 | Eur J Med Chem (2017) 142: 229-243 [PMID:28814374] |
| p21 (RAC1) activated kinase 4/Serine/threonine-protein kinase PAK 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4482] [GtoPdb: 2136] [UniProtKB: O96013] | ||||||||
| ChEMBL | Inhibition of PAK4 kinase domain (300 to 591) (unknown origin) assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42, MBP, and mixture of ATP and [32P]-gamma-ATP addition measured after 20 mins by scintillation counting analysis | B | 5 | pIC50 | >10000 | nM | IC50 | ACS Med Chem Lett (2015) 6: 776-781 [PMID:26191365] |
| p21 (RAC1) activated kinase 6/Serine/threonine-protein kinase PAK6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4311] [GtoPdb: 2137] [UniProtKB: Q9NQU5] | ||||||||
| ChEMBL | Inhibition of full length human PAK6 assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42, MBP, and mixture of ATP and [32P]-gamma-ATP addition measured after 20 mins by scintillation counting analysis | B | 5 | pIC50 | >10000 | nM | IC50 | ACS Med Chem Lett (2015) 6: 776-781 [PMID:26191365] |
| p21 (RAC1) activated kinase 5/Serine/threonine-protein kinase PAK7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4524] [GtoPdb: 2138] [UniProtKB: Q9P286] | ||||||||
| ChEMBL | Inhibition of full length PAK5 (unknown origin) expressed in HEK293 cells assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42, MBP, and mixture of ATP and [32P]-gamma-ATP addition measured after 20 mins by scintillation counting analysis | B | 5 | pIC50 | >10000 | nM | IC50 | ACS Med Chem Lett (2015) 6: 776-781 [PMID:26191365] |
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]
