arecoline [Ligand Id: 296] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL7303
  • M1 receptor/Muscarinic acetylcholine receptor M1 in Human [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229]
  • M1 receptor/Muscarinic acetylcholine receptor M1 in Mouse [ChEMBL: CHEMBL3733] [GtoPdb: 13] [UniProtKB: P12657]
  • M1 receptor/Muscarinic acetylcholine receptor M1 in Rat [ChEMBL: CHEMBL276] [GtoPdb: 13] [UniProtKB: P08482]
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  • M2 receptor/Muscarinic acetylcholine receptor M2 in Human [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
  • M2 receptor/Muscarinic acetylcholine receptor M2 in Rat [ChEMBL: CHEMBL309] [GtoPdb: 14] [UniProtKB: P10980]
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  • M3 receptor/Muscarinic acetylcholine receptor M3 in Human [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309]
  • M3 receptor/Muscarinic acetylcholine receptor M3 in Mouse [ChEMBL: CHEMBL5105] [GtoPdb: 15] [UniProtKB: Q9ERZ3]
  • M3 receptor/Muscarinic acetylcholine receptor M3 in Rat [ChEMBL: CHEMBL320] [GtoPdb: 15] [UniProtKB: P08483]
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  • M4 receptor/Muscarinic acetylcholine receptor M4 in Human [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173]
  • M4 receptor/Muscarinic acetylcholine receptor M4 in Rat [ChEMBL: CHEMBL317] [GtoPdb: 16] [UniProtKB: P08485]
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  • M5 receptor/Muscarinic acetylcholine receptor M5 in Human [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912]
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  • 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 [ChEMBL: CHEMBL2094110] [GtoPdb: 464465463472473474466467469468470] [UniProtKB: P04757P09483P12389P12390P12391P12392P20420P43143P43144Q05941Q9JLB5]
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  • nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Rat [ChEMBL: CHEMBL1907596] [GtoPdb: 465472] [UniProtKB: P09483P12390]
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  • Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig [ChEMBL: CHEMBL2366456] [UniProtKB: O35505]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229]
ChEMBL Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells B 4.53 pKi 29512.09 nM Ki Bioorg. Med. Chem. (2008) 16: 3049-3058 [PMID:18182302]
ChEMBL Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M1 using [3H]QNB radioligand B 4.54 pKi 29000 nM Ki J. Med. Chem. (2003) 46: 2216-2226 [PMID:12747793]
GtoPdb - - 5.7 pKi - - - Mol. Pharmacol. (1997) 52: 172-9 [PMID:9224827]
ChEMBL Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M1 expressed in CHO cell membranes B 7.85 pKi 14 nM Ki J. Med. Chem. (2000) 43: 2514-2522 [PMID:10891110]
ChEMBL In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinuclidynyl benzylate (QNB) B 4.19 pIC50 65000 nM IC50 J. Med. Chem. (1997) 40: 4265-4280 [PMID:9435896]
ChEMBL Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferens F 6.26 pIC50 545 nM IC50 J. Med. Chem. (1992) 35: 4011-4019 [PMID:1433209]
ChEMBL Ability to displace [3H]oxotremorine from Muscarinic acetylcholine receptor M1 expressed in CHO cells. B 6.94 pIC50 115 nM IC50 Bioorg. Med. Chem. Lett. (2001) 11: 2855-2857 [PMID:11597415]
ChEMBL Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor F 5.25 pEC50 5603 nM EC50 Bioorg. Med. Chem. Lett. (1998) 8: 2897-2902 [PMID:9873644]
ChEMBL In Vitro evaluation activity at the cloned Human Muscarinic acetylcholine receptor M1 determined by receptor selection and amplification technology (R-SAT) B 5.49 pEC50 3200 nM EC50 J. Med. Chem. (1995) 38: 2188-2195 [PMID:7783150]
M1 receptor/Muscarinic acetylcholine receptor M1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3733] [GtoPdb: 13] [UniProtKB: P12657]
ChEMBL Binding affinity of [3H]-(R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the presence of 300 uM GTP-gamma-S B 8.26 pKi 5.45 nM Ki J. Med. Chem. (1997) 40: 1230-1246 [PMID:9111297]
ChEMBL Binding affinity (low) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma-S B 8.48 pKi 3.33 nM Ki J. Med. Chem. (1997) 40: 1230-1246 [PMID:9111297]
ChEMBL Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line B 4.57 pEC50 27000 nM EC50 J. Med. Chem. (1997) 40: 1230-1246 [PMID:9111297]
M1 receptor/Muscarinic acetylcholine receptor M1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL276] [GtoPdb: 13] [UniProtKB: P08482]
ChEMBL Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting B 4.06 pKi 88000 nM Ki Bioorg. Med. Chem. (2009) 17: 5526-5534 [PMID:19595599]
ChEMBL Displacement of [3H]Quinuclidinyl benzilate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane B 4.07 pKi 86000 nM Ki Bioorg. Med. Chem. (2008) 16: 5157-5163 [PMID:18359231]
ChEMBL Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex membrane after 2 hrs by liquid scintillation counting B 4.07 pKi 86000 nM Ki Eur. J. Med. Chem. (2009) 44: 4848-4854 [PMID:19717214]
GtoPdb - - 5.3 pKi - - - J. Pharmacol. Exp. Ther. (1989) 248: 661-70 [PMID:2537406]
ChEMBL Compound was evaluated for the displacement of the muscarinic QNB in a genetically transformed rat cell line (m1c2) transfected with cloned m1 receptors (m1-QNBm1c2) B 4.92 pIC50 11920 nM IC50 Bioorg. Med. Chem. Lett. (1991) 1: 147-150
ChEMBL Ability to displace [3H]pirenzepine (pir) from muscarinic acetylcholine receptor M1 in rat cortical tissue. B 5.76 pIC50 1740 nM IC50 J. Med. Chem. (1992) 35: 15-27 [PMID:1732522]
ChEMBL Evaluated for inhibition of binding of [3H]pirenzepine to homogenized rat cerebral cortex membranes B 5.76 pIC50 1737.8 nM IC50 Bioorg. Med. Chem. Lett. (1992) 2: 501-504
ChEMBL Binding activity against muscarinic acetylcholine receptor M1 in rat brain, using [3H]-Pz as the radioligand. B 5.89 pIC50 1300 nM IC50 J. Med. Chem. (1995) 38: 3469-3481 [PMID:7658434]
ChEMBL In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]pirenzepine (Pz) as radioligand B 5.89 pIC50 1300 nM IC50 J. Med. Chem. (1992) 35: 2274-2283 [PMID:1613751]
ChEMBL Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus B 5.89 pIC50 1300 nM IC50 Bioorg. Med. Chem. Lett. (1992) 2: 809-814
ChEMBL Displacement of [3H]pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1 B 5.89 pIC50 1300 nM IC50 J. Med. Chem. (1992) 35: 4011-4019 [PMID:1433209]
ChEMBL Inhibition of [3H]pirenzepine binding to rat brain membrane Muscarinic acetylcholine receptor M1 B 5.96 pIC50 1100 nM IC50 J. Med. Chem. (1988) 31: 1312-1316 [PMID:3385727]
ChEMBL In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]oxotremorine-M (Oxo-M) as radioligand B 7.11 pIC50 77 nM IC50 J. Med. Chem. (1992) 35: 2274-2283 [PMID:1613751]
ChEMBL Displacement of [3H]oxotremorine-M (Oxo-M) from rat hippocampus muscarinic acetylcholine receptor M1 B 7.11 pIC50 77 nM IC50 J. Med. Chem. (1992) 35: 4011-4019 [PMID:1433209]
ChEMBL Binding activity against muscarinic acetylcholine receptor M1 in rat brain, using [3H]OXO-M as the radioligand. B 7.11 pIC50 77 nM IC50 J. Med. Chem. (1995) 38: 3469-3481 [PMID:7658434]
ChEMBL M1 agonist activity estimated by rat superior cervical ganglion depolarization F 6.66 pEC50 >=220 nM EC50 J. Med. Chem. (1994) 37: 4085-4099 [PMID:7990109]
M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
GtoPdb - - 5.2 pKi - - - Mol. Pharmacol. (1997) 52: 172-9 [PMID:9224827]
ChEMBL Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells B 5.61 pKi 2454.71 nM Ki Bioorg. Med. Chem. (2008) 16: 3049-3058 [PMID:18182302]
ChEMBL Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M2 using [3H]QNB radioligand B 5.62 pKi 2400 nM Ki J. Med. Chem. (2003) 46: 2216-2226 [PMID:12747793]
ChEMBL Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membrane B 7.4 pKi 40 nM Ki J. Med. Chem. (2000) 43: 2514-2522 [PMID:10891110]
ChEMBL The binding affinity was measured as inhibition of binding of [3H]- oxotremorine-M m2 toMuscarinic acetylcholine receptor M2 in membranes of CHO cells B 7.4 pKi 40 nM Ki J. Med. Chem. (2000) 43: 2514-2522 [PMID:10891110]
ChEMBL Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M2 B 7.4 pKi 40 nM Ki J. Med. Chem. (1998) 41: 2047-2055 [PMID:9622546]
ChEMBL Compound was evaluated for its ability to displace [3H]- N-methyl-scopolamine ([3H]NMS) binding to cloned CHO cell lines expressing Muscarinic acetylcholine receptor M2 B 5.35 pIC50 4500 nM IC50 J. Med. Chem. (1998) 41: 109-116 [PMID:9438027]
ChEMBL In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M2 B 5.74 pIC50 1800 nM IC50 J. Med. Chem. (1997) 40: 4265-4280 [PMID:9435896]
ChEMBL Stimulation of cAMP in CHO cells expressing human m2 receptor F 5 pEC50 10000 nM EC50 Bioorg. Med. Chem. Lett. (1998) 8: 2897-2902 [PMID:9873644]
ChEMBL In vitro binding affinity for muscarinic M1 receptor by displacing [3H]Pirenzepine binding on rat brain homogenate B 7.08 pEC50 83 nM EC50 J. Med. Chem. (1994) 37: 4085-4099 [PMID:7990109]
ChEMBL In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M2 determined by receptor selection and amplification technology (R-SAT). B 7.6 pEC50 25 nM EC50 J. Med. Chem. (1995) 38: 2188-2195 [PMID:7783150]
M2 receptor/Muscarinic acetylcholine receptor M2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL309] [GtoPdb: 14] [UniProtKB: P10980]
ChEMBL Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes B 7.4 pKi 40 nM Ki J. Med. Chem. (1998) 41: 2047-2055 [PMID:9622546]
ChEMBL Inhibition of [3H]quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M2 in rat brain membrane B 4.96 pIC50 11000 nM IC50 J. Med. Chem. (1988) 31: 1312-1316 [PMID:3385727]
ChEMBL Compound was evaluated for the displacement of the muscarinic QNB in rat heart homogenate containing the pharmacologic M2 receptor (M2-QNB heart) B 5.04 pIC50 9150 nM IC50 Bioorg. Med. Chem. Lett. (1991) 1: 147-150
ChEMBL Inhibition of [3H]quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M2 of rat heart B 6.23 pIC50 590 nM IC50 J. Med. Chem. (1988) 31: 1312-1316 [PMID:3385727]
M3 receptor/Muscarinic acetylcholine receptor M3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309]
ChEMBL Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M3 using [3H]QNB radioligand B 4.37 pKi 43000 nM Ki J. Med. Chem. (2003) 46: 2216-2226 [PMID:12747793]
ChEMBL Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M3 B 5.24 pKi 5700 nM Ki J. Med. Chem. (1998) 41: 2047-2055 [PMID:9622546]
GtoPdb - - 5.4 pKi - - - Mol. Pharmacol. (1997) 52: 172-9 [PMID:9224827]
ChEMBL Compound was evaluated for its ability to displace [3H]N-methylscopolamine ([3H]NMS) binding to cloned CHO cell lines expressing Muscarinic acetylcholine receptor M3 B 4.24 pIC50 58000 nM IC50 J. Med. Chem. (1998) 41: 109-116 [PMID:9438027]
ChEMBL In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M3 B 4.96 pIC50 11000 nM IC50 J. Med. Chem. (1997) 40: 4265-4280 [PMID:9435896]
ChEMBL In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M3 determined by receptor selection and amplification technology (R-SAT) B 6.47 pEC50 340 nM EC50 J. Med. Chem. (1995) 38: 2188-2195 [PMID:7783150]
ChEMBL Contraction of guinea pig ileum by muscarinic AChR activation, which could be inhibited by application of atropine B 7 pEC50 100 nM EC50 J. Med. Chem. (1986) 29: 1004-1009 [PMID:3712371]
M3 receptor/Muscarinic acetylcholine receptor M3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5105] [GtoPdb: 15] [UniProtKB: Q9ERZ3]
ChEMBL Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line F 4.92 pEC50 12000 nM EC50 J. Med. Chem. (1997) 40: 1230-1246 [PMID:9111297]
M3 receptor/Muscarinic acetylcholine receptor M3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL320] [GtoPdb: 15] [UniProtKB: P08483]
ChEMBL Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M3 in rat cerebral cortical membranes B 5.24 pKi 5700 nM Ki J. Med. Chem. (1998) 41: 2047-2055 [PMID:9622546]
M4 receptor/Muscarinic acetylcholine receptor M4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173]
ChEMBL Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M4 using [3H]QNB radioligand B 4.22 pKi 60000 nM Ki J. Med. Chem. (2003) 46: 2216-2226 [PMID:12747793]
GtoPdb - - 5.5 pKi - - - Mol. Pharmacol. (1997) 52: 172-9 [PMID:9224827]
ChEMBL Inhibition of [3H]- quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M4 expressed in CHO cell membranes B 5.62 pKi 2400 nM Ki J. Med. Chem. (2000) 43: 2514-2522 [PMID:10891110]
ChEMBL Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M4 B 5.62 pKi 2400 nM Ki J. Med. Chem. (1998) 41: 2047-2055 [PMID:9622546]
ChEMBL Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M4 in CHO cell membranes B 7.59 pKi 26 nM Ki J. Med. Chem. (2000) 43: 2514-2522 [PMID:10891110]
ChEMBL Compound was evaluated for its ability to displace [3H]- N-methyl-scopolamine ([3H]-NMS) binding to cloned CHO cell lines expressing Muscarinic acetylcholine receptor M4 B 4.32 pIC50 47500 nM IC50 J. Med. Chem. (1998) 41: 109-116 [PMID:9438027]
ChEMBL In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M4 B 4.87 pIC50 13500 nM IC50 J. Med. Chem. (1997) 40: 4265-4280 [PMID:9435896]
ChEMBL In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M4 determined by receptor selection and amplification technology (R-SAT) B 6.89 pEC50 130 nM EC50 J. Med. Chem. (1995) 38: 2188-2195 [PMID:7783150]
M4 receptor/Muscarinic acetylcholine receptor M4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL317] [GtoPdb: 16] [UniProtKB: P08485]
ChEMBL Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M4 in rat cerebral cortical membranes B 5.62 pKi 2400 nM Ki J. Med. Chem. (1998) 41: 2047-2055 [PMID:9622546]
M5 receptor/Muscarinic acetylcholine receptor M5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912]
ChEMBL Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells B 4.25 pKi 56234.13 nM Ki Bioorg. Med. Chem. (2008) 16: 3049-3058 [PMID:18182302]
ChEMBL Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M5 using [3H]QNB radioligand B 4.25 pKi 56000 nM Ki J. Med. Chem. (2003) 46: 2216-2226 [PMID:12747793]
ChEMBL Compound was evaluated for its ability to displace [3H]- N-methyl-scopolamine ([3H]NMS) binding to cloned CHO cell lines expressing Muscarinic acetylcholine receptor M5 B 4.2 pIC50 62500 nM IC50 J. Med. Chem. (1998) 41: 109-116 [PMID:9438027]
ChEMBL In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M5 determined by receptor selection and amplification technology (R-SAT) B 6.22 pEC50 600 nM EC50 J. Med. Chem. (1995) 38: 2188-2195 [PMID:7783150]
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: 464465463472473474466467469468470] [UniProtKB: P04757P09483P12389P12390P12391P12392P20420P43143P43144Q05941Q9JLB5]
ChEMBL Binding affinity for Nicotinic acetylcholine receptor site in rat cortex was determined using [3H]MCC as radioligand B 6.65 pKi 224 nM Ki Bioorg. Med. Chem. Lett. (1994) 4: 573-578
nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907596] [GtoPdb: 465472] [UniProtKB: P09483P12390]
ChEMBL The compound was evaluated for percentage inhibition of binding of [3H]- nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in Rat Cerebral Cortical Membranes B 6.57 pKi 270 nM Ki J. Med. Chem. (1998) 41: 2047-2055 [PMID:9622546]
ChEMBL Inhibition of binding of [3H]nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortical membranes at 100 uM concentration B 6.57 pKi 270 nM Ki J. Med. Chem. (1998) 41: 2047-2055 [PMID:9622546]
Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366456] [UniProtKB: O35505]
ChEMBL Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in guinea pig ventricular myocytes F 4.47 pIC50 33730 nM IC50 IC50 data for the L-type calcium channel extracted from a set of literature articles

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]