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: CHEMBL26138 (8-(3-Chlorostyryl)Caffeine) |
---|
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!
|
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 |
---|---|---|---|---|---|---|---|---|
A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542] | ||||||||
ChEMBL | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysis | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099] | ||||||||
ChEMBL | Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand | B | 4.55 | pKi | 28200 | nM | Ki | J Med Chem (1993) 36: 1333-1342 [PMID:8496902] |
ChEMBL | Displacement of [3H]PIA from adenosine A1 receptors of rat brain membrane | B | 4.55 | pKi | 28200 | nM | Ki | J Med Chem (1994) 37: 3373-3382 [PMID:7932565] |
GtoPdb | - | - | 4.55 | pKi | 28000 | nM | Ki | J Med Chem (1993) 36: 1333-42 [PMID:8496902] |
ChEMBL | Displacement of [3H]-N6-(2-phenylisopropyl)adenosine from Adenosine A1 receptor in rat cortical membranes | B | 4.55 | pKi | 28000 | nM | Ki | Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370] |
ChEMBL | Ability to inhibit binding of [3H]R-PIA to Adenosine A1 receptor in rat brain cortical membranes | B | 4.55 | pKi | 28000 | nM | Ki | J Med Chem (1997) 40: 4396-4405 [PMID:9435909] |
ChEMBL | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes | B | 4.55 | pKi | 28000 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Ability to inhibit binding of [3H]CHA to adenosine A1 receptor in rat brain cortical membranes. | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (1997) 40: 4396-4405 [PMID:9435909] |
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274] | ||||||||
ChEMBL | Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis | B | 6.69 | pKi | 204.2 | nM | Ki | J Med Chem (2013) 56: 1247-1261 [PMID:23281824] |
ChEMBL | Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis | B | 7.42 | pKi | 38.1 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Antagonist activity against adenosine A2 receptor | F | 7.44 | pKi | 36 | nM | Ki | J Med Chem (2008) 51: 347-372 [PMID:18181565] |
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543] | ||||||||
ChEMBL | Displacement of [3H]-CGS 21680 from Adenosine A2A receptor in rat cortical membranes | B | 7.27 | pKi | 54 | nM | Ki | Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370] |
ChEMBL | Antagonist activity at rat adenosine A2A receptor | B | 7.27 | pKi | 54 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
GtoPdb | - | - | 7.27 | pKi | 54 | nM | Ki | J Med Chem (1993) 36: 1333-42 [PMID:8496902] |
ChEMBL | Binding affinity to adenosine A2A receptor in rat brain striatal membranes | B | 7.44 | pKi | 36 | nM | Ki | J Med Chem (2015) 58: 6717-6732 [PMID:25915162] |
ChEMBL | Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay | B | 7.44 | pKi | 36 | nM | Ki | J Med Chem (2013) 56: 1247-1261 [PMID:23281824] |
ChEMBL | Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes. | B | 7.44 | pKi | 36 | nM | Ki | J Med Chem (1997) 40: 4396-4405 [PMID:9435909] |
ChEMBL | Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting analysis | B | 7.55 | pKi | 28.1 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane | B | 8.04 | pKi | 9.08 | nM | Ki | J Med Chem (1994) 37: 3373-3382 [PMID:7932565] |
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275] | ||||||||
ChEMBL | Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells | B | 5.09 | pKi | 8200 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation counting analysis | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
A2B receptor in Rat [GtoPdb: 20] [UniProtKB: P29276] | ||||||||
GtoPdb | - | - | 5.09 | pKi | 8200 | nM | Ki | Adenosine receptors: selective agonists and antagonists.. Adenosine and adenine nucleotides: from molecular biology to integrative physiology. (1995) |
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] | ||||||||
ChEMBL | Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
A3 receptor in Rat [GtoPdb: 21] [UniProtKB: P28647] | ||||||||
GtoPdb | - | - | 5 | pKi | >10000 | nM | Ki | Mol Pharmacol (1994) 45: 1101-11 [PMID:8022403] |
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
ChEMBL | Inhibition of human MAO-A | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
ChEMBL | Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured over 45 mins by horseradish peroxidase-Amplex Red-coupled fluorometric assay | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606] |
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338] | ||||||||
ChEMBL | Inhibition of MAOB in human liver mitochondria | B | 6.63 | pKi | 235 | nM | Ki | J Med Chem (2013) 56: 1247-1261 [PMID:23281824] |
ChEMBL | Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins by MAO-Glo assay | B | 6.68 | pKi | 210 | nM | Ki | Bioorg Med Chem (2015) 23: 770-778 [PMID:25600407] |
ChEMBL | Inhibition of human MAOB | B | 7 | pKi | 100 | nM | Ki | Medchemcomm (2019) 10: 10-25 [PMID:30774851] |
ChEMBL | Inhibition of recombinant wild-type MAOB from human liver expressed in Pichia pastoris | B | 7.07 | pKi | 86 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 2509-2513 [PMID:19342233] |
ChEMBL | Inhibition of MAO-B (unknown origin) | B | 7.09 | pKi | 80.6 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
ChEMBL | Inhibition of MAOB | B | 7.15 | pKi | 70 | nM | Ki | J Med Chem (2008) 51: 347-372 [PMID:18181565] |
ChEMBL | Inhibition of human MAOB after 1 hr by luminescence assay | B | 6.23 | pIC50 | 587.6 | nM | IC50 | J Med Chem (2013) 56: 1247-1261 [PMID:23281824] |
ChEMBL | Inhibition of recombinant human MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate incubated for 30 mins prior to substrate addition measured for 45 mins by amplex red reagent-based microplate fluorescence reader analysis | B | 7.74 | pIC50 | 18.1 | nM | IC50 | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Inhibition of human MAO-B | B | 7.75 | pIC50 | 17.8 | nM | IC50 | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
ChEMBL | Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured over 45 mins by horseradish peroxidase-Amplex Red-coupled fluorometric assay | B | 7.75 | pIC50 | 17.8 | nM | IC50 | Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606] |
Monoamine oxidase B in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3050] [GtoPdb: 2490] [UniProtKB: Q8BW75] | ||||||||
ChEMBL | Inhibition of mouse brain MAOB | B | 7 | pKi | 100 | nM | Ki | Bioorg Med Chem (2009) 17: 7523-7530 [PMID:19804982] |
Monoamine oxidase B in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2993] [GtoPdb: 2490] [UniProtKB: P19643] | ||||||||
ChEMBL | Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions using p-tyramine as substrate incubated for 30 mins prior to substrate addition measured for 45 mins by amplex red reagent-based microplate fluorescence reader analysis | B | 7.41 | pIC50 | 38.5 | nM | IC50 | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | F | 5 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | F | 5 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
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]