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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 A 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 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]