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Compile Data Set for Download or QSAR

Found 69 hits of kd data for polymerid = 49000360,9678   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50413109
PNG
(CHEMBL553448)
Show SMILES C[N+]1(Cc2ccc(O)cc2)CCC[C@@H](C1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(s1)C(=O)OC1CCCCC1 |r|
Show InChI InChI=1S/C34H42N4O6S/c1-38(21-24-11-15-27(40)16-12-24)19-5-6-25(22-38)35-32(41)29(20-23-9-13-26(39)14-10-23)36-34(43)37-31-18-17-30(45-31)33(42)44-28-7-3-2-4-8-28/h9-18,25,28-29H,2-8,19-22H2,1H3,(H4-,35,36,37,39,40,41,42,43)/p+1/t25-,29-,38?/m0/s1
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n/an/an/a 0.0501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50601574
PNG
(CHEMBL5201074)
Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r|
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n/an/an/a 0.100n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50601567
PNG
(CHEMBL5206565)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50601551
PNG
(CHEMBL5207281)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568740
PNG
(CHEMBL4860528)
Show SMILES CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50083651
PNG
((S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)...)
Show SMILES CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(30)27-19-25(31)28-23(20-29)26(32)33-21-22-16-13-12-14-17-22/h12-14,16-17,23,29H,2-11,15,18-21H2,1H3,(H,27,30)(H,28,31)/t23-/m0/s1
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n/an/an/a 0.150n/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding of [3H]-QNB to HM2 receptor was evaluated by saturation binding assay


Bioorg Med Chem Lett 9: 3363-8 (2000)


BindingDB Entry DOI: 10.7270/Q2668CDH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265979
PNG
(CHEMBL4089543)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C76H91N15O9/c1-2-68(92)81-46-55-43-56(73(97)79-35-33-77-69(93)27-25-58-47-88(51-82-58)37-13-11-15-53-29-39-86(40-30-53)49-71(95)90-64-21-7-3-17-60(64)75(99)84-62-19-5-9-23-66(62)90)45-57(44-55)74(98)80-36-34-78-70(94)28-26-59-48-89(52-83-59)38-14-12-16-54-31-41-87(42-32-54)50-72(96)91-65-22-8-4-18-61(65)76(100)85-63-20-6-10-24-67(63)91/h3-10,17-24,43-45,47-48,51-54H,2,11-16,25-42,46,49-50H2,1H3,(H,77,93)(H,78,94)(H,79,97)(H,80,98)(H,81,92)(H,84,99)(H,85,100)
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n/an/an/a 0.200n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Ratio of binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as dissociation rate constant to binding af...


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50413110
PNG
(CHEMBL540148)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 |r|
Show InChI InChI=1S/C31H38N4O6S/c1-20(2)41-30(39)27-14-15-28(42-27)34-31(40)33-26(17-21-6-10-24(36)11-7-21)29(38)32-23-5-4-16-35(3,19-23)18-22-8-12-25(37)13-9-22/h6-15,20,23,26H,4-5,16-19H2,1-3H3,(H4-,32,33,34,36,37,38,39,40)/p+1/t23-,26-,35?/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265979
PNG
(CHEMBL4089543)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C76H91N15O9/c1-2-68(92)81-46-55-43-56(73(97)79-35-33-77-69(93)27-25-58-47-88(51-82-58)37-13-11-15-53-29-39-86(40-30-53)49-71(95)90-64-21-7-3-17-60(64)75(99)84-62-19-5-9-23-66(62)90)45-57(44-55)74(98)80-36-34-78-70(94)28-26-59-48-89(52-83-59)38-14-12-16-54-31-41-87(42-32-54)50-72(96)91-65-22-8-4-18-61(65)76(100)85-63-20-6-10-24-67(63)91/h3-10,17-24,43-45,47-48,51-54H,2,11-16,25-42,46,49-50H2,1H3,(H,77,93)(H,78,94)(H,79,97)(H,80,98)(H,81,92)(H,84,99)(H,85,100)
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n/an/an/a 0.220n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenate after 2 hrs by liquid scintillation counting assay


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265979
PNG
(CHEMBL4089543)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C76H91N15O9/c1-2-68(92)81-46-55-43-56(73(97)79-35-33-77-69(93)27-25-58-47-88(51-82-58)37-13-11-15-53-29-39-86(40-30-53)49-71(95)90-64-21-7-3-17-60(64)75(99)84-62-19-5-9-23-66(62)90)45-57(44-55)74(98)80-36-34-78-70(94)28-26-59-48-89(52-83-59)38-14-12-16-54-31-41-87(42-32-54)50-72(96)91-65-22-8-4-18-61(65)76(100)85-63-20-6-10-24-67(63)91/h3-10,17-24,43-45,47-48,51-54H,2,11-16,25-42,46,49-50H2,1H3,(H,77,93)(H,78,94)(H,79,97)(H,80,98)(H,81,92)(H,84,99)(H,85,100)
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n/an/an/a 0.310n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic acetylcholine receptor M2 expressed in live adherent CHOK9 cells assessed as ratio of dissociation rate constant...


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265979
PNG
(CHEMBL4089543)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C76H91N15O9/c1-2-68(92)81-46-55-43-56(73(97)79-35-33-77-69(93)27-25-58-47-88(51-82-58)37-13-11-15-53-29-39-86(40-30-53)49-71(95)90-64-21-7-3-17-60(64)75(99)84-62-19-5-9-23-66(62)90)45-57(44-55)74(98)80-36-34-78-70(94)28-26-59-48-89(52-83-59)38-14-12-16-54-31-41-87(42-32-54)50-72(96)91-65-22-8-4-18-61(65)76(100)85-63-20-6-10-24-67(63)91/h3-10,17-24,43-45,47-48,51-54H,2,11-16,25-42,46,49-50H2,1H3,(H,77,93)(H,78,94)(H,79,97)(H,80,98)(H,81,92)(H,84,99)(H,85,100)
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n/an/an/a 0.310n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell suspension after 2 hrs by liquid scintillation counting assay


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538312
PNG
(CHEMBL4641726)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O |c:21|
Show InChI InChI=1S/C65H84N8O9S2/c1-64(2)52-23-11-14-26-56(52)71(38-19-20-46-83(77,78)79)59(64)28-7-5-8-29-60-65(3,4)53-47-50(84(80,81)82)31-32-57(53)72(60)37-17-6-9-30-61(74)66-35-41-69-44-42-68(43-45-69)36-18-16-21-49-33-39-70(40-34-49)48-62(75)73-55-25-13-10-22-51(55)63(76)67-54-24-12-15-27-58(54)73/h5,7-8,10-15,22-29,31-32,47,49H,6,9,16-21,30,33-46,48H2,1-4H3,(H3-,66,67,74,76,77,78,79,80,81,82)
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n/an/an/a 0.480n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells at 22 +/- 1 degree C preincubated for 180 mins followed by atropine additi...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557935
PNG
(CHEMBL4756833)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(23.6,-21.33,;22.26,-20.56,;22.26,-19.02,;20.92,-21.33,;19.58,-20.56,;20.92,-22.88,;19.58,-22.1,;29.3,-11.33,;27.96,-10.56,;27.96,-9.01,;26.63,-11.33,;25.29,-10.56,;26.63,-12.87,;25.28,-12.09,;30.23,-17.55,;28.9,-16.78,;28.9,-15.24,;27.56,-17.55,;26.22,-16.78,;27.56,-19.1,;26.21,-18.32,;23.52,-4.8,;21.98,-4.8,;21.2,-3.47,;21.2,-6.14,;19.66,-6.14,;18.9,-7.48,;19.66,-8.8,;18.88,-10.13,;17.34,-10.11,;16.58,-8.76,;15.03,-8.75,;14.26,-10.09,;15.02,-11.44,;16.56,-11.44,;17.33,-12.78,;16.55,-14.1,;18.65,-13.54,;12.71,-10.08,;11.93,-11.41,;11.94,-8.74,;12.73,-7.4,;11.96,-6.06,;10.42,-6.05,;9.65,-4.72,;8.12,-4.71,;7.34,-6.03,;5.8,-6.02,;5.03,-7.35,;5.78,-8.68,;5.01,-10.01,;5.76,-11.35,;4.99,-12.67,;5.74,-14,;7.28,-14.02,;8.03,-15.36,;9.57,-15.38,;10.35,-14.05,;10.32,-16.72,;9.45,-17.98,;7.96,-17.63,;6.91,-18.74,;7.35,-20.21,;8.84,-20.56,;9.88,-19.45,;11.31,-20.02,;12.65,-19.27,;13.91,-20.15,;12.89,-17.75,;14.39,-17.42,;14.85,-15.94,;13.8,-14.81,;12.3,-15.15,;11.84,-16.62,;8.06,-12.69,;7.3,-11.35,;8.1,-7.37,;9.64,-7.38,;19.64,-11.47,;18.86,-12.8,;19.62,-14.13,;21.17,-14.14,;21.95,-12.82,;21.19,-11.48,;21.98,-10.15,;21.2,-8.81,;21.98,-7.47,;21.94,-15.48,;21.16,-16.82,;23.49,-15.49,)|
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TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557935
PNG
(CHEMBL4756833)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(23.6,-21.33,;22.26,-20.56,;22.26,-19.02,;20.92,-21.33,;19.58,-20.56,;20.92,-22.88,;19.58,-22.1,;29.3,-11.33,;27.96,-10.56,;27.96,-9.01,;26.63,-11.33,;25.29,-10.56,;26.63,-12.87,;25.28,-12.09,;30.23,-17.55,;28.9,-16.78,;28.9,-15.24,;27.56,-17.55,;26.22,-16.78,;27.56,-19.1,;26.21,-18.32,;23.52,-4.8,;21.98,-4.8,;21.2,-3.47,;21.2,-6.14,;19.66,-6.14,;18.9,-7.48,;19.66,-8.8,;18.88,-10.13,;17.34,-10.11,;16.58,-8.76,;15.03,-8.75,;14.26,-10.09,;15.02,-11.44,;16.56,-11.44,;17.33,-12.78,;16.55,-14.1,;18.65,-13.54,;12.71,-10.08,;11.93,-11.41,;11.94,-8.74,;12.73,-7.4,;11.96,-6.06,;10.42,-6.05,;9.65,-4.72,;8.12,-4.71,;7.34,-6.03,;5.8,-6.02,;5.03,-7.35,;5.78,-8.68,;5.01,-10.01,;5.76,-11.35,;4.99,-12.67,;5.74,-14,;7.28,-14.02,;8.03,-15.36,;9.57,-15.38,;10.35,-14.05,;10.32,-16.72,;9.45,-17.98,;7.96,-17.63,;6.91,-18.74,;7.35,-20.21,;8.84,-20.56,;9.88,-19.45,;11.31,-20.02,;12.65,-19.27,;13.91,-20.15,;12.89,-17.75,;14.39,-17.42,;14.85,-15.94,;13.8,-14.81,;12.3,-15.15,;11.84,-16.62,;8.06,-12.69,;7.3,-11.35,;8.1,-7.37,;9.64,-7.38,;19.64,-11.47,;18.86,-12.8,;19.62,-14.13,;21.17,-14.14,;21.95,-12.82,;21.19,-11.48,;21.98,-10.15,;21.2,-8.81,;21.98,-7.47,;21.94,-15.48,;21.16,-16.82,;23.49,-15.49,)|
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n/an/an/a 0.600n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538316
PNG
(CHEMBL4643273)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)C(=O)NCCN2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccc(cc12)S([O-])(=O)=O |c:33|
Show InChI InChI=1S/C93H118N14O12S2/c1-92(2)75-25-11-15-29-80(75)104(47-21-22-60-120(114,115)116)84(92)32-7-5-8-33-85-93(3,4)76-64-73(121(117,118)119)35-36-81(76)105(85)46-19-6-9-34-86(108)96-65-68-61-69(88(110)94-43-54-100-50-39-71(40-51-100)103-52-41-72(42-53-103)106-82-30-16-13-27-78(82)98-91(106)113)63-70(62-68)89(111)95-44-55-101-58-56-99(57-59-101)45-20-18-23-67-37-48-102(49-38-67)66-87(109)107-79-28-14-10-24-74(79)90(112)97-77-26-12-17-31-83(77)107/h5,7-8,10-17,24-33,35-36,61-64,67,71-72H,6,9,18-23,34,37-60,65-66H2,1-4H3,(H6-,94,95,96,97,98,108,110,111,112,113,114,115,116,117,118,119)
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n/an/an/a 0.646n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538316
PNG
(CHEMBL4643273)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)C(=O)NCCN2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccc(cc12)S([O-])(=O)=O |c:33|
Show InChI InChI=1S/C93H118N14O12S2/c1-92(2)75-25-11-15-29-80(75)104(47-21-22-60-120(114,115)116)84(92)32-7-5-8-33-85-93(3,4)76-64-73(121(117,118)119)35-36-81(76)105(85)46-19-6-9-34-86(108)96-65-68-61-69(88(110)94-43-54-100-50-39-71(40-51-100)103-52-41-72(42-53-103)106-82-30-16-13-27-78(82)98-91(106)113)63-70(62-68)89(111)95-44-55-101-58-56-99(57-59-101)45-20-18-23-67-37-48-102(49-38-67)66-87(109)107-79-28-14-10-24-74(79)90(112)97-77-26-12-17-31-83(77)107/h5,7-8,10-17,24-33,35-36,61-64,67,71-72H,6,9,18-23,34,37-60,65-66H2,1-4H3,(H6-,94,95,96,97,98,108,110,111,112,113,114,115,116,117,118,119)
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n/an/an/a 0.650n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265980
PNG
(CHEMBL4066481)
Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)
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n/an/an/a 0.700n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Ratio of binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as dissociation rate constant to binding af...


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265980
PNG
(CHEMBL4066481)
Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)
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n/an/an/a 0.870n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic acetylcholine receptor M2 expressed in live adherent CHOK9 cells after 2 hrs by liquid scintillation counting as...


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265980
PNG
(CHEMBL4066481)
Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)
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n/an/an/a 0.870n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic acetylcholine receptor M2 expressed in live adherent CHOK9 cells assessed as ratio of dissociation rate constant...


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538312
PNG
(CHEMBL4641726)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O |c:21|
Show InChI InChI=1S/C65H84N8O9S2/c1-64(2)52-23-11-14-26-56(52)71(38-19-20-46-83(77,78)79)59(64)28-7-5-8-29-60-65(3,4)53-47-50(84(80,81)82)31-32-57(53)72(60)37-17-6-9-30-61(74)66-35-41-69-44-42-68(43-45-69)36-18-16-21-49-33-39-70(40-34-49)48-62(75)73-55-25-13-10-22-51(55)63(76)67-54-24-12-15-27-58(54)73/h5,7-8,10-15,22-29,31-32,47,49H,6,9,16-21,30,33-46,48H2,1-4H3,(H3-,66,67,74,76,77,78,79,80,81,82)
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n/an/an/a 0.891n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538312
PNG
(CHEMBL4641726)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O |c:21|
Show InChI InChI=1S/C65H84N8O9S2/c1-64(2)52-23-11-14-26-56(52)71(38-19-20-46-83(77,78)79)59(64)28-7-5-8-29-60-65(3,4)53-47-50(84(80,81)82)31-32-57(53)72(60)37-17-6-9-30-61(74)66-35-41-69-44-42-68(43-45-69)36-18-16-21-49-33-39-70(40-34-49)48-62(75)73-55-25-13-10-22-51(55)63(76)67-54-24-12-15-27-58(54)73/h5,7-8,10-15,22-29,31-32,47,49H,6,9,16-21,30,33-46,48H2,1-4H3,(H3-,66,67,74,76,77,78,79,80,81,82)
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n/an/an/a 0.891n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265979
PNG
(CHEMBL4089543)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C76H91N15O9/c1-2-68(92)81-46-55-43-56(73(97)79-35-33-77-69(93)27-25-58-47-88(51-82-58)37-13-11-15-53-29-39-86(40-30-53)49-71(95)90-64-21-7-3-17-60(64)75(99)84-62-19-5-9-23-66(62)90)45-57(44-55)74(98)80-36-34-78-70(94)28-26-59-48-89(52-83-59)38-14-12-16-54-31-41-87(42-32-54)50-72(96)91-65-22-8-4-18-61(65)76(100)85-63-20-6-10-24-67(63)91/h3-10,17-24,43-45,47-48,51-54H,2,11-16,25-42,46,49-50H2,1H3,(H,77,93)(H,78,94)(H,79,97)(H,80,98)(H,81,92)(H,84,99)(H,85,100)
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n/an/an/a 0.910n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic acetylcholine receptor M2 expressed in live adherent CHOK9 cells after 2 hrs by liquid scintillation counting as...


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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n/an/an/a 1n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557941
PNG
(CHEMBL4650998)
Show SMILES CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1
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n/an/an/a 1.40n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538314
PNG
(CHEMBL4636899)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:27|
Show InChI InChI=1S/C108H129N17O15S2/c1-107(2)86-31-12-17-36-92(86)122(59-25-26-64-141(135,136)137)96(107)39-7-5-8-40-97-108(3,4)87-68-83(142(138,139)140)44-45-93(87)123(97)58-22-6-9-41-98(126)113-69-78-65-79(103(131)111-54-52-109-99(127)46-42-81-70-120(74-114-81)56-23-20-27-76-48-60-118(61-49-76)72-101(129)124-90-34-15-10-29-84(90)105(133)116-88-32-13-18-37-94(88)124)67-80(66-78)104(132)112-55-53-110-100(128)47-43-82-71-121(75-115-82)57-24-21-28-77-50-62-119(63-51-77)73-102(130)125-91-35-16-11-30-85(91)106(134)117-89-33-14-19-38-95(89)125/h5,7-8,10-19,29-40,44-45,65-68,70-71,74-77H,6,9,20-28,41-43,46-64,69,72-73H2,1-4H3,(H8-,109,110,111,112,113,116,117,126,127,128,131,132,133,134,135,136,137,138,139,140)
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n/an/an/a 1.40n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells at 22 +/- 1 degree C preincubated for 110 mins followed by atropine additi...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557941
PNG
(CHEMBL4650998)
Show SMILES CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1
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n/an/an/a 1.40n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50413108
PNG
(CHEMBL540145)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC=C)(Cc3cccc(O)c3)C2)cc1 |r|
Show InChI InChI=1S/C35H42N4O6/c1-4-18-39(22-26-7-5-9-31(41)20-26)19-6-8-29(23-39)36-33(42)32(21-25-10-16-30(40)17-11-25)38-35(44)37-28-14-12-27(13-15-28)34(43)45-24(2)3/h4-5,7,9-17,20,24,29,32H,1,6,8,18-19,21-23H2,2-3H3,(H4-,36,37,38,40,41,42,43,44)/p+1/t29-,32-,39?/m0/s1
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n/an/an/a 1.58n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50083652
PNG
(CHEMBL112297 | Hexadecanoic acid (S)-2-benzyloxyca...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1
Show InChI InChI=1S/C42H72N2O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-33-41(47)49-36-38(42(48)50-35-37-30-26-25-27-31-37)44-40(46)34-43-39(45)32-28-23-21-19-17-14-12-10-8-6-4-2/h25-27,30-31,38H,3-24,28-29,32-36H2,1-2H3,(H,43,45)(H,44,46)/t38-/m0/s1
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n/an/an/a 1.80n/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding of [3H]QNB to HM2 receptor was evaluated by saturation binding assay


Bioorg Med Chem Lett 9: 3363-8 (2000)


BindingDB Entry DOI: 10.7270/Q2668CDH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557936
PNG
(CHEMBL4748004)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.Cc1cc(\C=C\c2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
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TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557936
PNG
(CHEMBL4748004)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.Cc1cc(\C=C\c2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
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TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538313
PNG
(CHEMBL4644612)
Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15|
Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86)
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University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells at 22 +/- 1 degree C preincubated for 120 mins followed by atropine additi...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557937
PNG
(CHEMBL4754371)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c(C)c2)cc1
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TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557937
PNG
(CHEMBL4754371)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c(C)c2)cc1
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TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557940
PNG
(CHEMBL4789147)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c3ccc(cc3oc2c1)=[N+](C)C |(55.74,-15.63,;54.4,-14.86,;54.4,-13.32,;53.06,-15.63,;51.72,-14.86,;53.06,-17.18,;51.71,-16.4,;49.39,-15,;48.05,-14.23,;48.05,-12.68,;46.71,-15,;45.36,-14.23,;46.71,-16.54,;45.36,-15.77,;69.03,-5.05,;67.69,-4.29,;67.69,-2.75,;66.36,-5.06,;65.03,-4.3,;63.7,-5.07,;63.69,-6.61,;62.36,-7.38,;61.03,-6.61,;61.04,-5.07,;59.71,-4.29,;58.37,-5.06,;58.37,-6.61,;59.7,-7.37,;59.7,-8.91,;58.37,-9.68,;60.09,-10.4,;57.04,-4.29,;57.04,-2.75,;55.7,-5.06,;54.37,-4.29,;53.03,-5.05,;51.7,-4.28,;50.37,-5.05,;50.36,-6.59,;49.03,-4.28,;47.7,-5.05,;47.7,-6.59,;46.45,-7.49,;46.93,-8.95,;46.14,-10.28,;44.61,-10.27,;43.82,-11.6,;42.28,-11.58,;41.5,-12.91,;39.97,-12.89,;39.19,-14.21,;39.94,-15.56,;39.15,-16.88,;37.61,-16.86,;36.86,-15.52,;36.83,-18.19,;37.67,-19.46,;39.17,-19.12,;40.22,-20.26,;39.75,-21.74,;38.25,-22.07,;37.21,-20.93,;35.69,-21.52,;34.45,-20.7,;33.17,-21.55,;34.23,-19.17,;32.74,-18.82,;32.3,-17.35,;33.35,-16.22,;34.85,-16.58,;35.29,-18.05,;41.48,-15.57,;42.27,-14.25,;48.47,-8.96,;48.95,-7.49,;62.36,-8.92,;61.02,-9.68,;61.01,-11.22,;62.36,-12,;63.69,-11.23,;63.69,-9.69,;65.03,-8.93,;65.03,-7.39,;66.37,-6.61,;62.36,-13.54,;61.02,-14.31,;63.69,-14.31,)|
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n/an/an/a 2.40n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557940
PNG
(CHEMBL4789147)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c3ccc(cc3oc2c1)=[N+](C)C |(55.74,-15.63,;54.4,-14.86,;54.4,-13.32,;53.06,-15.63,;51.72,-14.86,;53.06,-17.18,;51.71,-16.4,;49.39,-15,;48.05,-14.23,;48.05,-12.68,;46.71,-15,;45.36,-14.23,;46.71,-16.54,;45.36,-15.77,;69.03,-5.05,;67.69,-4.29,;67.69,-2.75,;66.36,-5.06,;65.03,-4.3,;63.7,-5.07,;63.69,-6.61,;62.36,-7.38,;61.03,-6.61,;61.04,-5.07,;59.71,-4.29,;58.37,-5.06,;58.37,-6.61,;59.7,-7.37,;59.7,-8.91,;58.37,-9.68,;60.09,-10.4,;57.04,-4.29,;57.04,-2.75,;55.7,-5.06,;54.37,-4.29,;53.03,-5.05,;51.7,-4.28,;50.37,-5.05,;50.36,-6.59,;49.03,-4.28,;47.7,-5.05,;47.7,-6.59,;46.45,-7.49,;46.93,-8.95,;46.14,-10.28,;44.61,-10.27,;43.82,-11.6,;42.28,-11.58,;41.5,-12.91,;39.97,-12.89,;39.19,-14.21,;39.94,-15.56,;39.15,-16.88,;37.61,-16.86,;36.86,-15.52,;36.83,-18.19,;37.67,-19.46,;39.17,-19.12,;40.22,-20.26,;39.75,-21.74,;38.25,-22.07,;37.21,-20.93,;35.69,-21.52,;34.45,-20.7,;33.17,-21.55,;34.23,-19.17,;32.74,-18.82,;32.3,-17.35,;33.35,-16.22,;34.85,-16.58,;35.29,-18.05,;41.48,-15.57,;42.27,-14.25,;48.47,-8.96,;48.95,-7.49,;62.36,-8.92,;61.02,-9.68,;61.01,-11.22,;62.36,-12,;63.69,-11.23,;63.69,-9.69,;65.03,-8.93,;65.03,-7.39,;66.37,-6.61,;62.36,-13.54,;61.02,-14.31,;63.69,-14.31,)|
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n/an/an/a 2.40n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538311
PNG
(CHEMBL4641714)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccccc12 |c:27|
Show InChI InChI=1S/C65H84N8O6S/c1-64(2)52-25-11-15-29-56(52)71(59(64)32-7-5-8-33-60-65(3,4)53-26-12-16-30-57(53)72(60)40-21-22-48-80(77,78)79)39-19-6-9-34-61(74)66-37-43-69-46-44-68(45-47-69)38-20-18-23-50-35-41-70(42-36-50)49-62(75)73-55-28-14-10-24-51(55)63(76)67-54-27-13-17-31-58(54)73/h5,7-8,10-17,24-33,50H,6,9,18-23,34-49H2,1-4H3,(H2-,66,67,74,76,77,78,79)
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n/an/an/a 2.57n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538311
PNG
(CHEMBL4641714)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccccc12 |c:27|
Show InChI InChI=1S/C65H84N8O6S/c1-64(2)52-25-11-15-29-56(52)71(59(64)32-7-5-8-33-60-65(3,4)53-26-12-16-30-57(53)72(60)40-21-22-48-80(77,78)79)39-19-6-9-34-61(74)66-37-43-69-46-44-68(45-47-69)38-20-18-23-50-35-41-70(42-36-50)49-62(75)73-55-28-14-10-24-51(55)63(76)67-54-27-13-17-31-58(54)73/h5,7-8,10-17,24-33,50H,6,9,18-23,34-49H2,1-4H3,(H2-,66,67,74,76,77,78,79)
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n/an/an/a 2.60n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265994
PNG
(CHEMBL4068393)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)C1
Show InChI InChI=1S/C56H71N9O5/c1-2-52(66)57-43-37-60(29-13-11-15-41-25-31-62(32-26-41)39-53(67)64-48-21-7-3-17-44(48)55(69)58-46-19-5-9-23-50(46)64)35-36-61(38-43)30-14-12-16-42-27-33-63(34-28-42)40-54(68)65-49-22-8-4-18-45(49)56(70)59-47-20-6-10-24-51(47)65/h3-10,17-24,41-43H,2,11-16,25-40H2,1H3,(H,57,66)(H,58,69)(H,59,70)
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n/an/an/a 3n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenate after 2 hrs by liquid scintillation counting assay


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538314
PNG
(CHEMBL4636899)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:27|
Show InChI InChI=1S/C108H129N17O15S2/c1-107(2)86-31-12-17-36-92(86)122(59-25-26-64-141(135,136)137)96(107)39-7-5-8-40-97-108(3,4)87-68-83(142(138,139)140)44-45-93(87)123(97)58-22-6-9-41-98(126)113-69-78-65-79(103(131)111-54-52-109-99(127)46-42-81-70-120(74-114-81)56-23-20-27-76-48-60-118(61-49-76)72-101(129)124-90-34-15-10-29-84(90)105(133)116-88-32-13-18-37-94(88)124)67-80(66-78)104(132)112-55-53-110-100(128)47-43-82-71-121(75-115-82)57-24-21-28-77-50-62-119(63-51-77)73-102(130)125-91-35-16-11-30-85(91)106(134)117-89-33-14-19-38-95(89)125/h5,7-8,10-19,29-40,44-45,65-68,70-71,74-77H,6,9,20-28,41-43,46-64,69,72-73H2,1-4H3,(H8-,109,110,111,112,113,116,117,126,127,128,131,132,133,134,135,136,137,138,139,140)
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n/an/an/a 3.09n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538314
PNG
(CHEMBL4636899)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:27|
Show InChI InChI=1S/C108H129N17O15S2/c1-107(2)86-31-12-17-36-92(86)122(59-25-26-64-141(135,136)137)96(107)39-7-5-8-40-97-108(3,4)87-68-83(142(138,139)140)44-45-93(87)123(97)58-22-6-9-41-98(126)113-69-78-65-79(103(131)111-54-52-109-99(127)46-42-81-70-120(74-114-81)56-23-20-27-76-48-60-118(61-49-76)72-101(129)124-90-34-15-10-29-84(90)105(133)116-88-32-13-18-37-94(88)124)67-80(66-78)104(132)112-55-53-110-100(128)47-43-82-71-121(75-115-82)57-24-21-28-77-50-62-119(63-51-77)73-102(130)125-91-35-16-11-30-85(91)106(134)117-89-33-14-19-38-95(89)125/h5,7-8,10-19,29-40,44-45,65-68,70-71,74-77H,6,9,20-28,41-43,46-64,69,72-73H2,1-4H3,(H8-,109,110,111,112,113,116,117,126,127,128,131,132,133,134,135,136,137,138,139,140)
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n/an/an/a 3.10n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557938
PNG
(CHEMBL4744233)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.Cc1cc(\C=C\c2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
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n/an/an/a 3.80n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557938
PNG
(CHEMBL4744233)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.Cc1cc(\C=C\c2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
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n/an/an/a 3.80n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50413113
PNG
(CHEMBL555706)
Show SMILES CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r|
Show InChI InChI=1S/C33H41N5O5/c1-22(2)34-31(41)25-10-12-26(13-11-25)36-33(43)37-30(19-23-6-14-28(39)15-7-23)32(42)35-27-5-4-18-38(3,21-27)20-24-8-16-29(40)17-9-24/h6-17,22,27,30H,4-5,18-21H2,1-3H3,(H5-,34,35,36,37,39,40,41,42,43)/p+1/t27-,30-,38?/m0/s1
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n/an/an/a 3.98n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538313
PNG
(CHEMBL4644612)
Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15|
Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86)
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n/an/an/a 4.10n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557939
PNG
(CHEMBL4742721)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(\C=C\c3ccc(OCC(=O)NCCCCCC(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc67)CC5)cn4)cc3)=[N+]12 |c:29,t:27,99|
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n/an/an/a 4.5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50557939
PNG
(CHEMBL4742721)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(\C=C\c3ccc(OCC(=O)NCCCCCC(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc67)CC5)cn4)cc3)=[N+]12 |c:29,t:27,99|
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n/an/an/a 4.5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for ...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538313
PNG
(CHEMBL4644612)
Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15|
Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86)
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n/an/an/a 4.5n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265994
PNG
(CHEMBL4068393)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)C1
Show InChI InChI=1S/C56H71N9O5/c1-2-52(66)57-43-37-60(29-13-11-15-41-25-31-62(32-26-41)39-53(67)64-48-21-7-3-17-44(48)55(69)58-46-19-5-9-23-50(46)64)35-36-61(38-43)30-14-12-16-42-27-33-63(34-28-42)40-54(68)65-49-22-8-4-18-45(49)56(70)59-47-20-6-10-24-51(47)65/h3-10,17-24,41-43H,2,11-16,25-40H2,1H3,(H,57,66)(H,58,69)(H,59,70)
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n/an/an/a 4.60n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenate assessed as ratio of dissociation rate constant to ...


J Med Chem 60: 3314-3334 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538312
PNG
(CHEMBL4641726)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O |c:21|
Show InChI InChI=1S/C65H84N8O9S2/c1-64(2)52-23-11-14-26-56(52)71(38-19-20-46-83(77,78)79)59(64)28-7-5-8-29-60-65(3,4)53-47-50(84(80,81)82)31-32-57(53)72(60)37-17-6-9-30-61(74)66-35-41-69-44-42-68(43-45-69)36-18-16-21-49-33-39-70(40-34-49)48-62(75)73-55-25-13-10-22-51(55)63(76)67-54-24-12-15-27-58(54)73/h5,7-8,10-15,22-29,31-32,47,49H,6,9,16-21,30,33-46,48H2,1-4H3,(H3-,66,67,74,76,77,78,79,80,81,82)
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n/an/an/a 4.68n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark measured after 60 mins by Hoechst H33342 dye based confo...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538312
PNG
(CHEMBL4641726)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O |c:21|
Show InChI InChI=1S/C65H84N8O9S2/c1-64(2)52-23-11-14-26-56(52)71(38-19-20-46-83(77,78)79)59(64)28-7-5-8-29-60-65(3,4)53-47-50(84(80,81)82)31-32-57(53)72(60)37-17-6-9-30-61(74)66-35-41-69-44-42-68(43-45-69)36-18-16-21-49-33-39-70(40-34-49)48-62(75)73-55-25-13-10-22-51(55)63(76)67-54-24-12-15-27-58(54)73/h5,7-8,10-15,22-29,31-32,47,49H,6,9,16-21,30,33-46,48H2,1-4H3,(H3-,66,67,74,76,77,78,79,80,81,82)
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n/an/an/a 4.70n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark measured after 60 mins by Hoechst H33342 dye based confo...


J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair
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