Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
ChEMBL ligand: CHEMBL1324 (RO 40-7592, RO-40-7592, RO-407592, Tasmar, Tolcapone) |
---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
---|---|---|---|---|---|---|---|---|
ABCB11/Bile salt export pump in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073674] [GtoPdb: 778] [UniProtKB: O70127] | ||||||||
ChEMBL | Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake | B | 4.33 | pIC50 | 47200 | nM | IC50 | Drug Metab Dispos (2012) 40: 130-138 [PMID:21965623] |
Catechol-O-methyltransferase/Catechol O-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2023] [GtoPdb: 2472] [UniProtKB: P21964] | ||||||||
GtoPdb | membrane-bound enzyme | - | 9.54 | pKi | 0.29 | nM | Ki | Biochemistry (1995) 34: 4202-10 [PMID:7703232] |
GtoPdb | soluble enzyme | - | 9.57 | pKi | 0.27 | nM | Ki | Biochemistry (1995) 34: 4202-10 [PMID:7703232] |
ChEMBL | Inhibition of human recombinant His-tagged soluble COMT expressed in Escherichia coli BL21 using aesculetin as substrate after 60 mins by microplate assay in presence of SAM | B | 6.9 | pIC50 | 127 | nM | IC50 | J Med Chem (2016) 59: 4664-4675 [PMID:27074629] |
ChEMBL | Inhibition of c-terminal hexa-His tagged human MB-COMT (unknown origin) | B | 9 | pIC50 | <1 | nM | IC50 | J Med Chem (2018) 61: 9647-9665 [PMID:30272964] |
ChEMBL | Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate addition and measured after 40 mins by HTRF assay | B | 9 | pIC50 | <1 | nM | IC50 | ACS Med Chem Lett (2019) 10: 1573-1578 [PMID:32038769] |
Catechol-O-methyltransferase/Catechol O-methyltransferase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2372] [GtoPdb: 2472] [UniProtKB: P22734] | ||||||||
ChEMBL | Inhibitory activity against COMT in rat brain | B | 5.66 | pIC50 | 2200 | nM | IC50 | J Med Chem (2005) 48: 8070-8078 [PMID:16335931] |
ChEMBL | Inhibitory activity against COMT in rat liver | B | 6.03 | pIC50 | 930 | nM | IC50 | J Med Chem (2005) 48: 8070-8078 [PMID:16335931] |
ChEMBL | Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 5 mins by chromatographic analysis | B | 7.51 | pIC50 | 30.59 | nM | IC50 | J Med Chem (2016) 59: 7584-7597 [PMID:27463695] |
ChEMBL | Inhibition of rat COMT | B | 8.66 | pIC50 | 2.2 | nM | IC50 | Bioorg Med Chem (2016) 24: 1419-1430 [PMID:26935940] |
ChEMBL | Inhibition of Catechol O-methyltransferase activity in rat brain | B | 8.66 | pIC50 | 2.2 | nM | IC50 | J Med Chem (2002) 45: 685-695 [PMID:11806720] |
ChEMBL | Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 15 mins by chromatographic analysis | B | 9.04 | pIC50 | 0.91 | nM | IC50 | J Med Chem (2016) 59: 7584-7597 [PMID:27463695] |
ChEMBL | Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 15 mins by chromatographic analysis | B | 9.04 | pIC50 | 0.91 | nM | IC50 | J Med Chem (2016) 59: 7584-7597 [PMID:27463695] |
Dengue virus type 2 NS3 protein in Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5980] [UniProtKB: P29990] | ||||||||
ChEMBL | Inhibition of DENV2 NS2B-NS3 serine protease expressed using Benzoyl-Nle-Lys-Arg-Arg-AMC as substrate measured preincubated for 3 mins followed by substrate addition by fluorescence assay | B | 6.19 | pIC50 | 640 | nM | IC50 | Eur J Med Chem (2019) 176: 431-455 [PMID:31128447] |
ChEMBL | Inhibition of NS2B-NS3 protease in DENV2proHeLa system assessed as inhibition of luciferase signal incubated for 24 hrs by luciferase reporter gene assay | B | 5.15 | pEC50 | 7100 | nM | EC50 | J Med Chem (2021) 64: 4567-4587 [PMID:33851839] |
GPR35/G-protein coupled receptor 35 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97] | ||||||||
ChEMBL | Agonist activity at GPR35 in human U2OS cells assessed as induction of beta-arrestin translocation after 5 hrs by beta-lactamase reporter gene assay | B | 4.31 | pEC50 | 49200 | nM | EC50 | Medchemcomm (2012) 3: 1270-1274 |
ChEMBL | Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole cell dynamic mass redistribution after 50 mins by resonant waveguide grating biosensor analysis | B | 5.13 | pEC50 | 7440 | nM | EC50 | Medchemcomm (2012) 3: 1270-1274 |
Krueppel-like factor 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3407312] [UniProtKB: Q13118] | ||||||||
ChEMBL | Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity after 24 hrs by CACCC-responsive promoter driven TK-luciferase reporter gene assay | B | 4.3 | pIC50 | 50000 | nM | IC50 | J Med Chem (2015) 58: 1466-1478 [PMID:25581017] |
ChEMBL | Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in KLF10-mediated transcriptional activity incubated for 24 hrs by luciferase reporter assay | B | 4.3 | pIC50 | 50000 | nM | IC50 | US-20170121318-A1. Use of small molecule inhibitors to klf10 for modulation of t regulatory cells and cancer immunotherapy (null) |
transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766] | ||||||||
ChEMBL | Binding affinity to TTR V3OM mutant (unknown origin) expressed in Escherichia coli incubated for 60 mins by tryptophan intrinsic fluorescence method | B | 6.01 | pKd | 980 | nM | Kd | J Med Chem (2021) 64: 14344-14357 [PMID:34547896] |
ChEMBL | Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetry | B | 7.02 | pKd | 95 | nM | Kd | J Med Chem (2021) 64: 14344-14357 [PMID:34547896] |
ChEMBL | Binding affinity to transthyretin V122I mutant (unknown origin) by ITC method | B | 7.25 | pKd | 56 | nM | Kd | J Med Chem (2018) 61: 7862-7876 [PMID:30133284] |
ChEMBL | Binding affinity to transthyretin (unknown origin) by ITC method | B | 7.69 | pKd | 20.6 | nM | Kd | J Med Chem (2018) 61: 7862-7876 [PMID:30133284] |
ChEMBL | Stabilization of wild type TTR (unknown origin) expressed in Escherichia coli assessed as reduction in methanol-induced aggregation incubated for 60 min by absorbance method | B | 4.52 | pIC50 | 30000 | nM | IC50 | J Med Chem (2021) 64: 14344-14357 [PMID:34547896] |
ChEMBL | Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance method | B | 5.49 | pIC50 | 3200 | nM | IC50 | J Med Chem (2021) 64: 14344-14357 [PMID:34547896] |
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]