A-85380 [Ligand Id: 5460] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL59986 (A-85380) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| nicotinic acetylcholine receptor α1 subunit/nicotinic acetylcholine receptor γ subunit/nicotinic acetylcholine receptor β1 subunit/nicotinic acetylcholine receptor δ subunit/Acetylcholine receptor; alpha1/beta1/delta/gamma in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907588] [GtoPdb: 462, 475, 471, 476] [UniProtKB: P02708, P07510, P11230, Q07001] | ||||||||
| ChEMBL | Binding affinity to muscle type alpha1beta1gammadelta-nAChR | B | 6.5 | pKi | 314 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Antagonist activity at human alpha1beta1gammadelta nAChR | B | 6.5 | pKi | 314 | nM | Ki | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| Acetylcholine receptor protein alpha chain in Torpedo californica (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3097] [UniProtKB: P02710] | ||||||||
| ChEMBL | Compound was evaluated for its ability to displace [125 I]alpha-bungarotoxin (alpha-BgT) from torpedo alpha1-beta1-gamma1 electroplax | B | 6.5 | pKi | 314 | nM | Ki | J Med Chem (1998) 41: 407-412 [PMID:9484491] |
| nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor β3 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α5 subunit/nicotinic acetylcholine receptor α6 subunit/nicotinic acetylcholine receptor α9 subunit/nicotinic acetylcholine receptor α7 subunit/nicotinic acetylcholine receptor α10 subunit/Neuronal acetylcholine receptor in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094110] [GtoPdb: 464, 465, 463, 472, 473, 474, 466, 467, 469, 468, 470] [UniProtKB: P04757, P09483, P12389, P12390, P12391, P12392, P20420, P43143, P43144, Q05941, Q9JLB5] | ||||||||
| ChEMBL | Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principally the alpha4-beta2 nAChR subtype) | B | 9.28 | pKi | 0.52 | nM | Ki | J Med Chem (1998) 41: 407-412 [PMID:9484491] |
| ChEMBL | Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand | B | 9.66 | pKi | 0.22 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Binding affinity against Nicotinic Acetylcholine Receptor was determined by measuring the displacement of [3H]cytisine from a preparation of whole rat brain. | B | 10.28 | pKi | 0.05 | nM | Ki | J Med Chem (1996) 39: 817-825 [PMID:8632405] |
| ChEMBL | Binding affinity towards nicotinic acetylcholine receptor using [3H]nicotine as radioligand in rat brain homogenates | B | 10.3 | pKi | 0.05 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 1989-1992 [PMID:12113825] |
| nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha2/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907592] [GtoPdb: 463, 472] [UniProtKB: P12389, P12390] | ||||||||
| ChEMBL | Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand | B | 10.13 | pKi | 0.07 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha3/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907587] [GtoPdb: 464, 472] [UniProtKB: P04757, P12390] | ||||||||
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand | B | 9.62 | pKi | 0.24 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907594] [GtoPdb: 474, 464] [UniProtKB: P30926, P32297] | ||||||||
| ChEMBL | Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype IMR-32 (ganglionic) | B | 6.15 | pEC50 | 700 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor β4 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907593] [GtoPdb: 464, 474] [UniProtKB: P04757, P12392] | ||||||||
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand | B | 7.14 | pKi | 72 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907589] [GtoPdb: 472, 465] [UniProtKB: P17787, P43681] | ||||||||
| ChEMBL | Agonist activity at alpha4beta2 nAChR (unknown origin) | B | 10.28 | pKi | 0.05 | nM | Ki | J Med Chem (2014) 57: 3966-3983 [PMID:24814197] |
| ChEMBL | Binding affinity against human Nicotinic acetylcholine receptor alpha4-beta2 | B | 10.3 | pKi | 0.05 | nM | Ki | J Med Chem (1999) 42: 2251-2259 [PMID:10377231] |
| ChEMBL | Compound was evaluated for its ability to displace [3H]cytisine from K177 cells expressing human Nicotinic acetylcholine receptor alpha4-beta2 | B | 10.4 | pKi | 0.04 | nM | Ki | J Med Chem (1998) 41: 407-412 [PMID:9484491] |
| ChEMBL | Binding affinity to alpha4beta2 nAChR in human brain | B | 10.4 | pKi | 0.04 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Inhibition of alpha4beta2 nicotinic acetylcholine receptor (unknown origin) | B | 10.4 | pKi | 0.04 | nM | Ki | Med Chem Res (2005) 14: 241-259 |
| ChEMBL | Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells | B | 8.82 | pIC50 | 1.51 | nM | IC50 | J Med Chem (2009) 52: 2311-2316 [PMID:19301898] |
| ChEMBL | Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay | F | 6.15 | pEC50 | 707.95 | nM | EC50 | J Med Chem (2009) 52: 2311-2316 [PMID:19301898] |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha4-beta2 | B | 6.15 | pEC50 | 700 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Agonist activity at human alpha4beta2 nAChR | F | 6.15 | pEC50 | 700 | nM | EC50 | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Agonist activity at human alpha4beta2 nAChR | B | 6.15 | pEC50 | 700 | nM | EC50 | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907596] [GtoPdb: 465, 472] [UniProtKB: P09483, P12390] | ||||||||
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand | B | 9.85 | pKi | 0.14 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand | B | 10.28 | pKi | 0.05 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 2797-2802 [PMID:9873625] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta2 nACHR | B | 10.3 | pKi | 0.05 | nM | Ki | J Med Chem (2012) 55: 812-823 [PMID:22148173] |
| ChEMBL | Binding affinity to alpha4beta2 nAChR in rat brain | B | 10.3 | pKi | 0.05 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain | B | 10.77 | pKi | 0.02 | nM | Ki | J Med Chem (1998) 41: 3690-3698 [PMID:9733494] |
| ChEMBL | In vitro binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortical membrane using [3H]cytisine as radioligand | B | 8.82 | pIC50 | 1.5 | nM | IC50 | J Med Chem (2000) 43: 2217-2226 [PMID:10841800] |
| nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β4 subunit/Neuronal acetylcholine receptor; alpha4/beta4 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907595] [GtoPdb: 465, 474] [UniProtKB: P09483, P12392] | ||||||||
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligand | B | 8.15 | pKi | 7.1 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2492] [GtoPdb: 468] [UniProtKB: P36544] | ||||||||
| ChEMBL | Compound was evaluated for its ability to displace [125I]alpha-bungarotoxin (alpha-BgT) from K28 cells expressing human Nicotinic acetylcholine receptor alpha7 | B | 6.83 | pKi | 148 | nM | Ki | J Med Chem (1998) 41: 407-412 [PMID:9484491] |
| ChEMBL | Binding affinity against human Nicotinic acetylcholine receptor alpha-7 was determined | B | 6.83 | pKi | 148 | nM | Ki | J Med Chem (1999) 42: 2251-2259 [PMID:10377231] |
| ChEMBL | Binding affinity to human alpha7 nAChR in human brain | B | 6.83 | pKi | 148 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Agonist activity at alpha7 nAChR (unknown origin) | B | 6.83 | pKi | 148 | nM | Ki | J Med Chem (2014) 57: 3966-3983 [PMID:24814197] |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha7 | B | 5.05 | pEC50 | 8900 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes. | F | 5.05 | pEC50 | 8900 | nM | EC50 | J Med Chem (1998) 41: 407-412 [PMID:9484491] |
| ChEMBL | Agonist activity at human alpha7 nAChR | F | 5.05 | pEC50 | 8900 | nM | EC50 | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor subunit alpha-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3068] [GtoPdb: 464] [UniProtKB: P32297] | ||||||||
| ChEMBL | Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtype | F | 6.15 | pEC50 | 700 | nM | EC50 | J Med Chem (1998) 41: 407-412 [PMID:9484491] |
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]
