darifenacin [Ligand Id: 321] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1346 (Darifenacin, Darifenacin extended release, Enablex, UK-88525) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| β1-adrenoceptor/Beta-1 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL213] [GtoPdb: 28] [UniProtKB: P08588] | ||||||||
| ChEMBL | Binding affinity to human beta1-adrenoceptor by radioligand binding assay | B | 6.74 | pKi | 180 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 6280-6285 [PMID:22932315] |
| ChEMBL | Binding affinity to adrenergic beta1 receptor | B | 6.5 | pIC50 | 316.23 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 4612-4616 [PMID:21723724] |
| ChEMBL | Agonist activity at adrenergic beta1 receptor | F | 7.4 | pEC50 | 39.81 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 4612-4616 [PMID:21723724] |
| β1-adrenoceptor/Beta-1 adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3252] [GtoPdb: 28] [UniProtKB: P18090] | ||||||||
| ChEMBL | Agonist activity at beta1 adrenoceptor in rat left atria assessed as induction of ionotropic effect | F | 5.64 | pEC50 | 2310 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 1545-1548 [PMID:21277205] |
| β2-adrenoceptor/Beta-2 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550] | ||||||||
| ChEMBL | Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs | B | 7.21 | pKi | 61 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 1354-1358 [PMID:21310610] |
| ChEMBL | Binding affinity to human beta2-adrenoceptor by radioligand binding assay | B | 7.8 | pKi | 15.9 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 6280-6285 [PMID:22932315] |
| ChEMBL | Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as stimulation of cAMP accumulation after 60 mins | F | 7.8 | pEC50 | 15.85 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 4612-4616 [PMID:21723724] |
| ChEMBL | Agonist activity at beta2-adrenoceptor in human bronchial smooth-muscle cell by cAMP assay | F | 8.69 | pEC50 | 2.05 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 6280-6285 [PMID:22932315] |
| ChEMBL | Agonist activity at human beta2-adrenoceptor expressed in HEK cells assessed as increase of cAMP level after 10 mins by radioimmunoassay | F | 9.09 | pEC50 | 0.82 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 1354-1358 [PMID:21310610] |
| ChEMBL | Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as cAMP accumulation using [125I]cAMP by scintillation counting | F | 9.1 | pEC50 | 0.79 | nM | EC50 | J Med Chem (2015) 58: 2609-2622 [PMID:25629394] |
| Beta-2 adrenergic receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5414] [UniProtKB: Q8K4Z4] | ||||||||
| ChEMBL | Agonist activity at beta2 adrenoceptor in guinea pig tracheal rings assessed as vasorelaxation | F | 9 | pEC50 | 1 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 1545-1548 [PMID:21277205] |
| D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Binding affinity to dopamine 2 receptor | B | 4.6 | pIC50 | 25118.86 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 4612-4616 [PMID:21723724] |
| ChEMBL | Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase in GTPgamma35S binding by scintillation proximity assay | F | 5 | pEC50 | >10000 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 6280-6285 [PMID:22932315] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform | F | 5.8 | pIC50 | 1584.89 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
| ChEMBL | Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay | F | 7.1 | pIC50 | 79.43 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
| M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229] | ||||||||
| ChEMBL | Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M1 | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2002) 45: 984-987 [PMID:11831911] |
| ChEMBL | Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scintillation counting method | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2020) 63: 4349-4369 [PMID:32202101] |
| GtoPdb | - | - | 9.1 | pKi | - | - | - |
J Pharmacol Exp Ther (2001) 297: 790-7 [PMID:11303071]; Br J Pharmacol (2010) 160: 1119-27 [PMID:20590605]; Eur J Pharmacol (1998) 349: 285-92 [PMID:9671109] |
| M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172] | ||||||||
| ChEMBL | Antagonism at muscarinic M2 receptor in isolated guinea pig urinary bladder | F | 7.8 | pKd | 15.85 | nM | Kd | Bioorg Med Chem Lett (2006) 16: 373-377 [PMID:16275087] |
| GtoPdb | - | - | 7.3 | pKi | - | - | - |
J Pharmacol Exp Ther (2001) 297: 790-7 [PMID:11303071]; Br J Pharmacol (2010) 160: 1119-27 [PMID:20590605]; Eur J Pharmacol (1998) 349: 285-92 [PMID:9671109] |
| ChEMBL | Binding affinity to human muscarinic M2 receptor | B | 7.3 | pKi | 50 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 373-377 [PMID:16275087] |
| ChEMBL | Binding affinity (Ki) against binding of [3H]NMS to membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M2 | B | 7.33 | pKi | 47 | nM | Ki | J Med Chem (2002) 45: 984-987 [PMID:11831911] |
| M2 receptor/Muscarinic acetylcholine receptor M2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL309] [GtoPdb: 14] [UniProtKB: P10980] | ||||||||
| ChEMBL | Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart | B | 7.2 | pKi | 63 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 5256-5260 [PMID:17629699] |
| M3 receptor/Muscarinic acetylcholine receptor M3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309] | ||||||||
| ChEMBL | Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2015) 58: 2609-2622 [PMID:25629394] |
| ChEMBL | Binding affinity to human muscarinic M3 receptor | B | 8.89 | pKi | 1.3 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 373-377 [PMID:16275087] |
| ChEMBL | Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3 | B | 9.08 | pKi | 0.84 | nM | Ki | J Med Chem (2002) 45: 984-987 [PMID:11831911] |
| GtoPdb | - | - | 9.1 | pKi | - | - | - |
J Pharmacol Exp Ther (2001) 297: 790-7 [PMID:11303071]; Br J Pharmacol (2010) 160: 1119-27 [PMID:20590605]; Eur J Pharmacol (1998) 349: 285-92 [PMID:9671109] |
| ChEMBL | Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scintillation counting method | B | 9.13 | pKi | 0.74 | nM | Ki | J Med Chem (2020) 63: 4349-4369 [PMID:32202101] |
| ChEMBL | Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for 30 mins followed by carbachol addition and measured after 90 mins by TR-HTRF assay | F | 7.35 | pEC50 | 45 | nM | EC50 | J Med Chem (2020) 63: 4349-4369 [PMID:32202101] |
| ChEMBL | Agonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as increase in IP1 accumulation incubated for 90 min by TR-HTRF assay | F | 7.49 | pEC50 | 32 | nM | EC50 | J Med Chem (2020) 63: 4349-4369 [PMID:32202101] |
| ChEMBL | Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition of carbachol-induced beta-arrestin2 recruitment preincubated for 30 mins followed by carbachol addition and measured after 90 mins by PathHunter assay | B | 7.96 | pEC50 | 11 | nM | EC50 | J Med Chem (2020) 63: 4349-4369 [PMID:32202101] |
| M3 receptor/Muscarinic acetylcholine receptor M3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL320] [GtoPdb: 15] [UniProtKB: P08483] | ||||||||
| ChEMBL | Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland | B | 8.6 | pKi | 2.5 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 5256-5260 [PMID:17629699] |
| Muscarinic acetylcholine receptor M3 in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5498] [UniProtKB: Q8VH26] | ||||||||
| ChEMBL | Antagonism in muscarinic M3 receptor in guinea pig left atria | F | 7.3 | pKd | 50.12 | nM | Kd | Bioorg Med Chem Lett (2006) 16: 373-377 [PMID:16275087] |
| M4 receptor/Muscarinic acetylcholine receptor M4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173] | ||||||||
| ChEMBL | Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M4 | B | 8.07 | pKi | 8.6 | nM | Ki | J Med Chem (2002) 45: 984-987 [PMID:11831911] |
| GtoPdb | - | - | 8.1 | pKi | - | - | - |
J Pharmacol Exp Ther (2001) 297: 790-7 [PMID:11303071]; Br J Pharmacol (2010) 160: 1119-27 [PMID:20590605]; Eur J Pharmacol (1998) 349: 285-92 [PMID:9671109] |
| M5 receptor/Muscarinic acetylcholine receptor M5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912] | ||||||||
| GtoPdb | - | - | 8.6 | pKi | - | - | - |
J Pharmacol Exp Ther (2001) 297: 790-7 [PMID:11303071]; Br J Pharmacol (2010) 160: 1119-27 [PMID:20590605]; Eur J Pharmacol (1998) 349: 285-92 [PMID:9671109] |
| ChEMBL | Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5 | B | 8.64 | pKi | 2.3 | nM | Ki | J Med Chem (2002) 45: 984-987 [PMID:11831911] |
| Nav1.5/Sodium channel protein type V alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1980] [GtoPdb: 582] [UniProtKB: Q14524] | ||||||||
| ChEMBL | Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform | F | 5.8 | pIC50 | 1584.89 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
| Kv7.1/Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2221347] [GtoPdb: 560] [UniProtKB: P15382, P51787] | ||||||||
| ChEMBL | Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform | F | 4.7 | pIC50 | 19952.62 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
| Kv4.3/Voltage-gated potassium channel subunit Kv4.3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1964] [GtoPdb: 554] [UniProtKB: Q9UK17] | ||||||||
| ChEMBL | Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | J Pharmacol Toxicol Methods (2014) 70: 246-254 [PMID:25087753] |
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]
