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ChEMBL ligand: CHEMBL3924132 |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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cyclin dependent kinase 2/CDK2/Cyclin A2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3038469] [GtoPdb: 1973] [UniProtKB: P20248, P24941] | ||||||||
ChEMBL | Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate after 60 mins by caliper assay | B | 6.29 | pKi | 510 | nM | Ki | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
ChEMBL | Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate after 60 mins by caliper assay | B | 5.99 | pIC50 | 1020 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
mitogen-activated protein kinase 8/c-Jun N-terminal kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2276] [GtoPdb: 1496] [UniProtKB: P45983] | ||||||||
ChEMBL | Inhibition of recombinant human full length His-tagged JNK1 expressed in baculovirus expression system by Z'-LYTE assay | B | 7.04 | pIC50 | 92 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
GtoPdb | - | - | 7.04 | pIC50 | 92 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
mitogen-activated protein kinase 9/c-Jun N-terminal kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4179] [GtoPdb: 1497] [UniProtKB: P45984] | ||||||||
ChEMBL | Inhibition of recombinant human full length His-tagged JNK2 expressed in baculovirus expression system by Z'-LYTE assay | B | 7.12 | pIC50 | 76 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
GtoPdb | - | - | 7.12 | pIC50 | 76 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
mitogen-activated protein kinase 10/c-Jun N-terminal kinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2637] [GtoPdb: 1498] [UniProtKB: P53779] | ||||||||
ChEMBL | Inhibition of recombinant human full length N-terminal GST-tagged JNK3 expressed in baculovirus expression system by Z'-LYTE assay | B | 6.62 | pIC50 | 242 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
GtoPdb | - | - | 6.62 | pIC50 | 242 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
TTK protein kinase/Dual specificity protein kinase TTK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3983] [GtoPdb: 2264] [UniProtKB: P33981] | ||||||||
ChEMBL | Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60 to 90 mins by caliper assay | B | 9.96 | pKi | 0.11 | nM | Ki | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
GtoPdb | - | - | 9.96 | pKi | 0.11 | nM | Ki | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
ChEMBL | Inhibition of MPS1 autophosphorylation at Thr33/Ser37 in human HCT116 cells after 2 hrs by MSD assay | B | 7.2 | pIC50 | 63 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
ChEMBL | Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60 to 90 mins by caliper assay | B | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
GtoPdb | - | - | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
ChEMBL | Enzyme Inhibition Assay: The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluorescent labelled peptide [known as H236, which has the sequence: 5FAM-DHTGFLTEYVATR-CONH2] (5 μM), ATP(10 μM), either DMSO (1% v/v) or the test compound (in the range 0.25 nM-100 μM in 1% DMSO) and assay buffer (50 mM HEPES (pH 7.0), 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovandate, 10 μM MgCl2, 1 μM DTT, Roche protease inhibitor). The reaction was carried out for 60 min at room temperature and stopped by the addition of buffer (10 μl) containing 20 mM EDTA, 0.05% (v/v) Brij-35, in 0.1M HEPES-buffered saline (Free acid, Sigma, UK). The plate was read on a Caliper EZ reader II (Caliper Life Sciences). | B | 8.52 | pIC50 | 3 | nM | IC50 | US-9409907-B2. Inhibitor compounds (2016) |
leucine rich repeat kinase 2/Leucine-rich repeat serine/threonine-protein kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075104] [GtoPdb: 2059] [UniProtKB: Q5S007] | ||||||||
ChEMBL | Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus expression system by Z'-LYTE assay | B | 7.32 | pIC50 | 48 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
GtoPdb | - | - | 7.32 | pIC50 | 48 | nM | IC50 | J Med Chem (2018) 61: 8226-8240 [PMID:30199249] |
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]