MLI-2 [Ligand Id: 11663] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4098877 (Merck lrrk2 inhibitor-2) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| CDC like kinase 2/Dual specificity protein kinase CLK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760] | ||||||||
| ChEMBL | CLK2 Kinase screen | B | 6.22 | pIC50 | 605 | nM | IC50 | Data for DCP probe MLi-2 |
| ChEMBL | Selectivity interaction (SelectScreen (Invitrogen)) EUB0000715a CLK2 | B | 6.22 | pIC50 | 605 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| CDC like kinase 4/Dual specificity protein kinase CLK4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1] | ||||||||
| ChEMBL | CLK4 Kinase screen | B | 6.65 | pIC50 | 225 | nM | IC50 | Data for DCP probe MLi-2 |
| ChEMBL | Selectivity interaction (SelectScreen (Invitrogen)) EUB0000715a CLK4 | B | 6.65 | pIC50 | 225 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| TTK protein kinase/Dual specificity protein kinase TTK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3983] [GtoPdb: 2264] [UniProtKB: P33981] | ||||||||
| ChEMBL | TTK Kinase screen | B | 6.03 | pIC50 | 935 | nM | IC50 | Data for DCP probe MLi-2 |
| ChEMBL | Selectivity interaction (SelectScreen (Invitrogen)) EUB0000715a TTK | B | 6.03 | pIC50 | 935 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| 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] | ||||||||
| GtoPdb | Determined in a biochemical assay at physiologically relevant ATP concentration (5mM) to mimic cellular conditions. | - | 8.19 | pIC50 | 6.4 | nM | IC50 | J Med Chem (2017) 60: 2983-2992 [PMID:28245354] |
| ChEMBL | Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr in presence of 5 mM ATP by TR-FRET assay | B | 8.19 | pIC50 | 6.4 | nM | IC50 | J Med Chem (2017) 60: 2983-2992 [PMID:28245354] |
| ChEMBL | LRRK2 Biochemical Assay with 5mM ATP | B | 8.2 | pIC50 | 6.3 | nM | IC50 | Data for DCP probe MLi-2 |
| ChEMBL | Inhibition LRRK2 G2019S mutant Ser935 phosphorylation in human SH-SY5Y cells after 90 mins by Western blot analysis | B | 8.32 | pIC50 | 4.8 | nM | IC50 | J Med Chem (2017) 60: 2983-2992 [PMID:28245354] |
| ChEMBL | Cellular assay monitoring dephosphorylation of pSer935 LRRK2 | B | 8.46 | pIC50 | 3.5 | nM | IC50 | Data for DCP probe MLi-2 |
| ChEMBL | LRRK2 Biochemical Assay | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Data for DCP probe MLi-2 |
| ChEMBL | Inhibition of GST20-tagged LRRK2 in human SH-SY5Y cells assessed as reduction in pSer935 phosphorylation incubated for 90 mins by MSD assay | B | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (2022) 65: 16801-16817 [PMID:36475697] |
| ChEMBL | Inhibition of full-length wild type LRRK2 (unknown origin) using LRRKtide as substrate incubated for 1 hr in presence of ATP by TR-FRET based ADAPTA assay | B | 9 | pIC50 | 1 | nM | IC50 | ACS Med Chem Lett (2022) 13: 981-988 [PMID:35707141] |
| ChEMBL | Inhibition of full length wild type LRRK2 (unknown origin) by LRRKtide Adapta assay | B | 9 | pIC50 | 1 | nM | IC50 | Eur J Med Chem (2022) 229: 114080-114080 [PMID:34992038] |
| ChEMBL | Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by LanthaScreen assay | B | 9.1 | pIC50 | 0.8 | nM | IC50 | J Med Chem (2020) 63: 11330-11361 [PMID:32352776] |
| ChEMBL | Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by TR-FRET assay | B | 9.12 | pIC50 | 0.76 | nM | IC50 | J Med Chem (2017) 60: 2983-2992 [PMID:28245354] |
| ChEMBL | Affinity Biochemical interaction (LanthaScreen) EUB0000715a LRRK2 | B | 9.12 | pIC50 | 0.76 | nM | IC50 | Affinity Biochemical Literature for EUbOPEN Chemogenomics Library wave 3 |
| ChEMBL | Inhibition of LRRK2 (unknown origin) | B | 9.3 | pIC50 | 0.5 | nM | IC50 | Bioorg Med Chem Lett (2022) 56: 128482-128482 [PMID:34864194] |
| ChEMBL | Inhibition of GST20-tagged human LRRK2 G2019S mutant using LRRKtide peptide preincubated for 15 mins followed by substrate addition and measured after 90 mins by TR-FRET assay | B | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (2022) 65: 16801-16817 [PMID:36475697] |
| ChEMBL | Inhibition of full length LRRK2 G2019S mutant (unknown origin) by LRRKtide Adapta assay | B | 9.4 | pIC50 | 0.4 | nM | IC50 | Eur J Med Chem (2022) 229: 114080-114080 [PMID:34992038] |
| ChEMBL | Inhibition of full-length LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate incubated for 1 hr in presence of ATP by TR-FRET based ADAPTA assay | B | 9.4 | pIC50 | 0.4 | nM | IC50 | ACS Med Chem Lett (2022) 13: 981-988 [PMID:35707141] |
| ChEMBL | Inhibition of pcDNA5FRT-TO-GFP fused - LRRK2 G2019S mutant (unknown origin) transfected in HEK293 cells incubated for 24 hrs by ELISA | B | 7.52 | pEC50 | 30 | nM | EC50 | Eur J Med Chem (2022) 229: 114080-114080 [PMID:34992038] |
| ChEMBL | Inhibition of wild type pcDNA5FRT-TO-GFP fused - LRRK2 (unknown origin) transfected in HEK293 cells incubated for 24 hrs by ELISA | B | 7.64 | pEC50 | 23 | nM | EC50 | Eur J Med Chem (2022) 229: 114080-114080 [PMID:34992038] |
| ChEMBL | NanoBRET (SGC Frankfurt) | B | 8.91 | pEC50 | 1.22 | nM | EC50 | Data for DCP probe MLi-2 |
| ChEMBL | Affinity On-target Cellular interaction (NanoBRET assay (HEK293T cells)) EUB0000715a LRRK2 | B | 8.91 | pEC50 | 1.22 | nM | EC50 | Affinity On-target Cellular Literature for EUbOPEN Chemogenomics Library wave 3 |
| leucine rich repeat kinase 2/Leucine-rich repeat serine/threonine-protein kinase 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2010622] [GtoPdb: 2059] [UniProtKB: Q5S006] | ||||||||
| ChEMBL | Inhibition of mouse full-length LRRK2 G2019S mutant transfected in HEK293 cells using LRRKtide as substrate in presence of ATP by incubated for 1 hr TR-FRET based ADAPTA assay | B | 7.52 | pEC50 | 30 | nM | EC50 | ACS Med Chem Lett (2022) 13: 981-988 [PMID:35707141] |
| mitogen-activated protein kinase kinase kinase 14/Mitogen-activated protein kinase kinase kinase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5888] [GtoPdb: 2074] [UniProtKB: Q99558] | ||||||||
| ChEMBL | MAP3K14 (NIK) Kinase screen | B | 6.61 | pIC50 | 244 | nM | IC50 | Data for DCP probe MLi-2 |
| ChEMBL | Selectivity interaction (SelectScreen (Invitrogen)) EUB0000715a MAP3K14 | B | 6.61 | pIC50 | 244 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| mitogen-activated protein kinase kinase kinase 5/Mitogen-activated protein kinase kinase kinase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5285] [GtoPdb: 2080] [UniProtKB: Q99683] | ||||||||
| ChEMBL | MAP3K5 (ASK1) Kinase screen | B | 6.37 | pIC50 | 428 | nM | IC50 | Data for DCP probe MLi-2 |
| ChEMBL | Selectivity interaction (SelectScreen (Invitrogen)) EUB0000715a MAP3K5 | B | 6.37 | pIC50 | 428 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172] | ||||||||
| ChEMBL | Selectivity interaction (Enzymatic assay (PanLabs Profiling)) EUB0000715a CHRM2 | B | 5.19 | pIC50 | 6400 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] | ||||||||
| ChEMBL | Selectivity interaction (Enzymatic assay (PanLabs Profiling)) EUB0000715a SLC6A2 | B | 5.42 | pIC50 | 3800 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] | ||||||||
| ChEMBL | PPARgamma Eurofins-Panlabs radioligand binding assay | B | 5.92 | pKi | 1190 | nM | Ki | Data for DCP probe MLi-2 |
| ChEMBL | PPARgamma Eurofins-Panlabs radioligand binding assay | B | 5.19 | pIC50 | 6520 | nM | IC50 | Data for DCP probe MLi-2 |
| ChEMBL | Selectivity interaction (Enzymatic assay (PanLabs Profiling)) EUB0000715a PPARG | B | 5.19 | pIC50 | 6500 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | Selectivity interaction (Enzymatic assay (PanLabs Profiling)) EUB0000715a HTR2B | B | 5.92 | pIC50 | 1200 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2] | ||||||||
| ChEMBL | GPCRScan assay: inhibition of Sigma 2 | B | 5.34 | pKi | 4600.45 | nM | Ki | Data for DCP probe MLi-2 |
| ChEMBL | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000715a TMEM97 | B | 5.34 | pKi | 4600.45 | nM | Ki | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| ChEMBL | GPCRScan assay: inhibition of Sigma 2 | B | 5.34 | pKi | 4570.88 | nM | Ki | Data for DCP probe MLi-2 |
| Sodium/nucleoside cotransporter 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5780] [GtoPdb: 1115] [UniProtKB: O43868] | ||||||||
| ChEMBL | Selectivity interaction (Enzymatic assay (PanLabs Profiling)) EUB0000715a SLC28A2 | B | 5.01 | pIC50 | 9700 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
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]
