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 | 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 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]
