ipsapirone [Ligand Id: 42] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL8412 (Ipsapirone) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| α1A-adrenoceptor/Alpha-1a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL229] [GtoPdb: 22] [UniProtKB: P35348] | ||||||||
| ChEMBL | Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay | B | 7.06 | pKi | 87 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 2495-2500 [PMID:9873568] |
| Alpha-1a adrenergic receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4892] [UniProtKB: P18130] | ||||||||
| ChEMBL | Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| α1B-adrenoceptor/Alpha-1b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL232] [GtoPdb: 23] [UniProtKB: P35368] | ||||||||
| ChEMBL | Binding affinity against human Alpha-1b adrenergic receptor was evaluated by cloned receptor binding assay | B | 6.66 | pKi | 220 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 2495-2500 [PMID:9873568] |
| α1D-adrenoceptor/Alpha-1d adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL223] [GtoPdb: 24] [UniProtKB: P25100] | ||||||||
| ChEMBL | Binding affinity against human Alpha-1d adrenergic receptor was evaluated by cloned receptor binding assay | B | 7.34 | pKi | 46 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 2495-2500 [PMID:9873568] |
| Alpha-2a adrenergic receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4744] [UniProtKB: Q28838] | ||||||||
| ChEMBL | Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex | B | 5.55 | pIC50 | 2800 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| Dopamine D1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2967] [UniProtKB: Q95136] | ||||||||
| ChEMBL | Displacement of [3H]raclopride from Dopamine receptor D1 of calf striatum | B | 4.92 | pIC50 | 12000 | nM | IC50 | J Med Chem (1996) 39: 4285-4298 [PMID:8863806] |
| ChEMBL | Binding affinity towards dopamine receptor D1 in calf striatum | B | 4.92 | pIC50 | 12000 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Displacement of [3H]raclopride from human cloned D2 receptor expressed in HEK293 cells by radioligand binding assay | B | 5.91 | pKi | 1224 | nM | Ki | Bioorg Med Chem Lett (2019) 29: 126667-126667 [PMID:31547945] |
| ChEMBL | Displacement of [3H]-raclopride from human D2R expressed in human HEK293 cells | B | 5.91 | pKi | 1224 | nM | Ki | Bioorg Med Chem Lett (2021) 42: 128028-128028 [PMID:33839253] |
| ChEMBL | Binding affinity to D2 receptor by radioligand binding assay | B | 6.96 | pKi | 110 | nM | Ki | J Med Chem (2006) 49: 3116-3135 [PMID:16722631] |
| D2 receptor/Dopamine D2 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL339] [GtoPdb: 215] [UniProtKB: P61169] | ||||||||
| ChEMBL | Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membranes | B | 5.54 | pIC50 | 2900 | nM | IC50 | J Med Chem (2004) 47: 4677-4683 [PMID:15341483] |
| D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | Inhibition of dopamine D3 receptor | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2004) 47: 4677-4683 [PMID:15341483] |
| D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
| ChEMBL | Inhibition of dopamine D4 receptor | B | 5.74 | pIC50 | 1800 | nM | IC50 | J Med Chem (2004) 47: 4677-4683 [PMID:15341483] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908] | ||||||||
| ChEMBL | Binding affinity to 5HT1A receptor | B | 8.4 | pKd | 3.98 | nM | Kd | J Med Chem (2009) 52: 6107-6125 [PMID:19754201] |
| ChEMBL | Displacement of [3H]5-CT from human recombinant 5-HT1A receptor expressed in CHO cells measured after 60 to 90 mins by radioligand completion assay relative to control | B | 7.3 | pKi | 49.7 | nM | Ki | J Med Chem (2021) 64: 13510-13523 [PMID:34467758] |
| ChEMBL | Displacement of [3H]-5-OH-DPAT from human 5-HT1AR expressed in human HEK293 cells | B | 8.1 | pKi | 7.9 | nM | Ki | Bioorg Med Chem Lett (2021) 42: 128028-128028 [PMID:33839253] |
| ChEMBL | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells | B | 8.22 | pKi | 6 | nM | Ki | J Med Chem (2006) 49: 3116-3135 [PMID:16722631] |
| GtoPdb | - | - | 8.8 | pKi | - | - | - |
Eur J Pharmacol (1998) 355: 245-56 [PMID:9760039]; Naunyn Schmiedebergs Arch Pharmacol (1998) 357: 205-17 [PMID:9550290] |
| ChEMBL | Displacement of [3H]8-OH-DAPT from human recombinant 5-HT1A receptor expressed in COS7 cells measured after 60 to 90 mins by radioligand completion assay relative to control | B | 9.62 | pKi | 0.24 | nM | Ki | J Med Chem (2021) 64: 13510-13523 [PMID:34467758] |
| ChEMBL | Compound was tested for its potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells | F | 7.17 | pEC50 | 67.61 | nM | EC50 | Bioorg Med Chem Lett (1998) 8: 2457-2462 [PMID:9873561] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3737] [GtoPdb: 1] [UniProtKB: Q64264] | ||||||||
| ChEMBL | Compound was tested for binding affinity to 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as a radioligand | B | 7.92 | pKi | 12.1 | nM | Ki | Bioorg Med Chem Lett (1992) 2: 1703-1706 |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
| ChEMBL | In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus | B | 8 | pKi | 10 | nM | Ki | J Med Chem (1989) 32: 1024-1033 [PMID:2565399] |
| ChEMBL | In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue. | B | 8 | pKi | 10 | nM | Ki | J Med Chem (1988) 31: 1382-1392 [PMID:2898533] |
| ChEMBL | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2008) 51: 4529-4538 [PMID:18598015] |
| ChEMBL | Displacement of radioligand [3H]2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (1993) 36: 2751-2760 [PMID:8410989] |
| ChEMBL | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes | B | 8.26 | pKi | 5.5 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 2457-2462 [PMID:9873561] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat brain hippocampus by radioligand binding assay | B | 8.47 | pKi | 3.4 | nM | Ki | Bioorg Med Chem Lett (2019) 29: 126667-126667 [PMID:31547945] |
| ChEMBL | Inhibitory affinity constant against 5-hydroxytryptamine 1A receptor | B | 8.47 | pKi | 3.4 | nM | Ki | J Med Chem (1995) 38: 1701-1710 [PMID:7752194] |
| ChEMBL | In vitro ability to displace [3H]8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus | B | 8.47 | pKi | 3.4 | nM | Ki | J Med Chem (1992) 35: 2369-2374 [PMID:1535661] |
| ChEMBL | Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes,3H-8-OH-DPAT and buspirone for nonspecific binding (NSB) | B | 7.46 | pIC50 | 35 | nM | IC50 | J Med Chem (1996) 39: 4285-4298 [PMID:8863806] |
| ChEMBL | Binding affinity against 5-hydroxytryptamine 1A (5-HT1A) receptor in rat hippocampus membranes | B | 7.46 | pIC50 | 35 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| ChEMBL | Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells | B | 8.09 | pIC50 | 8.2 | nM | IC50 | J Med Chem (2004) 47: 4677-4683 [PMID:15341483] |
| 5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564] | ||||||||
| ChEMBL | Binding affinity to 5-HT1B receptors using rat cortex+striatum + globus pallidus,[3H]-5-OH-tryptamine, and serotonin for NSB | B | 4.3 | pIC50 | 50000 | nM | IC50 | J Med Chem (1996) 39: 4285-4298 [PMID:8863806] |
| ChEMBL | Binding affinity for 5-hydroxytryptamine 1B receptor in rat cortex, striatum and globus pallidus | B | 4.3 | pIC50 | 50000 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| ChEMBL | Binding affinity towards 5-HT1B was determined | B | 4.59 | pIC50 | 26000 | nM | IC50 | J Med Chem (1987) 30: 1-12 [PMID:3543362] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO cells | B | 4.82 | pKi | 14980 | nM | Ki | Bioorg Med Chem Lett (2021) 42: 128028-128028 [PMID:33839253] |
| Serotonin 2a (5-HT2a) receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3446] [UniProtKB: Q75Z89] | ||||||||
| ChEMBL | Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex | B | 5.12 | pIC50 | 7500 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| 5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406] | ||||||||
| ChEMBL | Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells | B | 4.77 | pKi | 16800 | nM | Ki | Bioorg Med Chem Lett (2021) 42: 128028-128028 [PMID:33839253] |
| 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3155] [GtoPdb: 12] [UniProtKB: P34969] | ||||||||
| ChEMBL | Displacement of [3H]-5CT from human 5-HT7R expressed in human HEK293 cells | B | 5.85 | pKi | 1406 | nM | Ki | Bioorg Med Chem Lett (2021) 42: 128028-128028 [PMID:33839253] |
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]
