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Compile Data Set for Download or QSAR

Found 509 hits with Last Name = 'pegoli' and Initial = 'a'   
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 M1


(Homo sapiens (Human))
BDBM50557933
PNG
(CHEMBL4634333)
Show SMILES Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)Cc3ccc4N5CCC6OC7CC[N+]8=C(C7=CC6=C5C(C)(C)c4c3)C(C)(C)c3cc(ccc83)S([O-])(=O)=O)CC1)c1ccccc1NC2=O |c:41,44,47|
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0.0316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competit...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50557933
PNG
(CHEMBL4634333)
Show SMILES Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)Cc3ccc4N5CCC6OC7CC[N+]8=C(C7=CC6=C5C(C)(C)c4c3)C(C)(C)c3cc(ccc83)S([O-])(=O)=O)CC1)c1ccccc1NC2=O |c:41,44,47|
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0.0398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competit...


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))
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10|
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1
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0.0631n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UNSW-MK259 from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting ...


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))
BDBM50525130
PNG
(CHEMBL4540949)
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.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C44H68N12O5.5C2HF3O2/c1-32(57)50-37(14-6-8-20-45)43(61)52-36(15-10-21-49-44(46)47)42(60)48-22-26-54-29-27-53(28-30-54)23-9-7-11-33-18-24-55(25-19-33)31-40(58)56-38-16-4-2-12-34(38)41(59)51-35-13-3-5-17-39(35)56;5*3-2(4,5)1(6)7/h2-5,12-13,16-17,33,36-37H,6-11,14-15,18-31,45H2,1H3,(H,48,60)(H,50,57)(H,51,59)(H,52,61)(H4,46,47,49);5*(H,6,7)/t36-,37-;;;;;/m0...../s1
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0.0631n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50525115
PNG
(CHEMBL4582879)
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.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C47H73N13O6.5C2HF3O2/c1-33(53-46(66)39(54-34(2)61)15-7-9-21-48)43(63)56-38(16-11-22-52-47(49)50)45(65)51-23-27-58-30-28-57(29-31-58)24-10-8-12-35-19-25-59(26-20-35)32-42(62)60-40-17-5-3-13-36(40)44(64)55-37-14-4-6-18-41(37)60;5*3-2(4,5)1(6)7/h3-6,13-14,17-18,33,35,38-39H,7-12,15-16,19-32,48H2,1-2H3,(H,51,65)(H,53,66)(H,54,61)(H,55,64)(H,56,63)(H4,49,50,52);5*(H,6,7)/t33-,38-,39-;;;;;/m0...../s1
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0.0631n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells using 0.2 nM [3H]-NMS after 3 hrs by microbeta2 scin...


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50525115
PNG
(CHEMBL4582879)
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.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C47H73N13O6.5C2HF3O2/c1-33(53-46(66)39(54-34(2)61)15-7-9-21-48)43(63)56-38(16-11-22-52-47(49)50)45(65)51-23-27-58-30-28-57(29-31-58)24-10-8-12-35-19-25-59(26-20-35)32-42(62)60-40-17-5-3-13-36(40)44(64)55-37-14-4-6-18-41(37)60;5*3-2(4,5)1(6)7/h3-6,13-14,17-18,33,35,38-39H,7-12,15-16,19-32,48H2,1-2H3,(H,51,65)(H,53,66)(H,54,61)(H,55,64)(H,56,63)(H4,49,50,52);5*(H,6,7)/t33-,38-,39-;;;;;/m0...../s1
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0.0631n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50525122
PNG
(CHEMBL4589047)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C55H68N10O7.3C2HF3O2/c1-37(58-55(72)48(59-38(2)66)34-41-35-57-45-14-5-3-12-43(41)45)52(69)61-47(33-40-18-20-42(67)21-19-40)54(71)56-24-28-63-31-29-62(30-32-63)25-10-9-11-39-22-26-64(27-23-39)36-51(68)65-49-16-7-4-13-44(49)53(70)60-46-15-6-8-17-50(46)65;3*3-2(4,5)1(6)7/h3-8,12-21,35,37,39,47-48,57,67H,9-11,22-34,36H2,1-2H3,(H,56,71)(H,58,72)(H,59,66)(H,60,70)(H,61,69);3*(H,6,7)/t37-,47-,48-;;;/m0.../s1
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0.0794n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50525115
PNG
(CHEMBL4582879)
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.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C47H73N13O6.5C2HF3O2/c1-33(53-46(66)39(54-34(2)61)15-7-9-21-48)43(63)56-38(16-11-22-52-47(49)50)45(65)51-23-27-58-30-28-57(29-31-58)24-10-8-12-35-19-25-59(26-20-35)32-42(62)60-40-17-5-3-13-36(40)44(64)55-37-14-4-6-18-41(37)60;5*3-2(4,5)1(6)7/h3-6,13-14,17-18,33,35,38-39H,7-12,15-16,19-32,48H2,1-2H3,(H,51,65)(H,53,66)(H,54,61)(H,55,64)(H,56,63)(H4,49,50,52);5*(H,6,7)/t33-,38-,39-;;;;;/m0...../s1
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0.0794n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells using 2 nM [3H]-NMS after 3 hrs by microbeta2 scinti...


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50525132
PNG
(CHEMBL4451383)
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.CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C47H65N9O6.4C2HF3O2/c1-34(57)50-41(32-36-16-18-37(58)19-17-36)47(62)52-40(13-6-8-22-48)46(61)49-23-27-54-30-28-53(29-31-54)24-9-7-10-35-20-25-55(26-21-35)33-44(59)56-42-14-4-2-11-38(42)45(60)51-39-12-3-5-15-43(39)56;4*3-2(4,5)1(6)7/h2-5,11-12,14-19,35,40-41,58H,6-10,13,20-33,48H2,1H3,(H,49,61)(H,50,57)(H,51,60)(H,52,62);4*(H,6,7)/t40-,41-;;;;/m0..../s1
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0.0794n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50525124
PNG
(CHEMBL4569639)
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.CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C47H65N9O6.4C2HF3O2/c1-34(57)50-40(13-6-8-22-48)47(62)52-41(32-36-16-18-37(58)19-17-36)46(61)49-23-27-54-30-28-53(29-31-54)24-9-7-10-35-20-25-55(26-21-35)33-44(59)56-42-14-4-2-11-38(42)45(60)51-39-12-3-5-15-43(39)56;4*3-2(4,5)1(6)7/h2-5,11-12,14-19,35,40-41,58H,6-10,13,20-33,48H2,1H3,(H,49,61)(H,50,57)(H,51,60)(H,52,62);4*(H,6,7)/t40-,41-;;;;/m0..../s1
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0.0794n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50525110
PNG
(CHEMBL4455570)
Show SMILES CN1CCC(=CC1)c1nsnc1OCCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |c:4|
Show InChI InChI=1S/C39H52N8O3S/c1-43-20-16-31(17-21-43)37-39(42-51-41-37)50-28-8-19-45-26-24-44(25-27-45)18-7-6-9-30-14-22-46(23-15-30)29-36(48)47-34-12-4-2-10-32(34)38(49)40-33-11-3-5-13-35(33)47/h2-5,10-13,16,30H,6-9,14-15,17-29H2,1H3,(H,40,49)
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0.0794n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265995
PNG
(CHEMBL4097258)
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.CCC(=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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0.107n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UNSW-MK259 from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting ...


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))
BDBM50525125
PNG
(CHEMBL4515788)
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.C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C50H70N10O7.4C2HF3O2/c1-35(53-50(67)43(54-36(2)61)33-38-17-19-39(62)20-18-38)47(64)56-42(14-7-9-23-51)49(66)52-24-28-58-31-29-57(30-32-58)25-10-8-11-37-21-26-59(27-22-37)34-46(63)60-44-15-5-3-12-40(44)48(65)55-41-13-4-6-16-45(41)60;4*3-2(4,5)1(6)7/h3-6,12-13,15-20,35,37,42-43,62H,7-11,14,21-34,51H2,1-2H3,(H,52,66)(H,53,67)(H,54,61)(H,55,65)(H,56,64);4*(H,6,7)/t35-,42-,43-;;;;/m0..../s1
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0.115n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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0.129n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...


ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538323
PNG
(CHEMBL3140030)
Show SMILES [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)[C@H](CO)c1ccccc1 |r|
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14+,15-,16+,17-/m1/s1
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0.138n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)p...


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))
BDBM50525138
PNG
(CHEMBL4454300)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C52H63N9O6.3C2HF3O2/c1-36(62)55-46(33-39-34-54-43-13-4-2-11-41(39)43)52(67)57-45(32-38-17-19-40(63)20-18-38)51(66)53-23-27-59-30-28-58(29-31-59)24-9-8-10-37-21-25-60(26-22-37)35-49(64)61-47-15-6-3-12-42(47)50(65)56-44-14-5-7-16-48(44)61;3*3-2(4,5)1(6)7/h2-7,11-20,34,37,45-46,54,63H,8-10,21-33,35H2,1H3,(H,53,66)(H,55,62)(H,56,65)(H,57,67);3*(H,6,7)/t45-,46-;;;/m0.../s1
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0.148n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50525139
PNG
(CHEMBL4554682)
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.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C50H70N10O7.4C2HF3O2/c1-35(53-50(67)42(54-36(2)61)14-7-9-23-51)47(64)56-43(33-38-17-19-39(62)20-18-38)49(66)52-24-28-58-31-29-57(30-32-58)25-10-8-11-37-21-26-59(27-22-37)34-46(63)60-44-15-5-3-12-40(44)48(65)55-41-13-4-6-16-45(41)60;4*3-2(4,5)1(6)7/h3-6,12-13,15-20,35,37,42-43,62H,7-11,14,21-34,51H2,1-2H3,(H,52,66)(H,53,67)(H,54,61)(H,55,65)(H,56,64);4*(H,6,7)/t35-,42-,43-;;;;/m0..../s1
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0.174n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538317
PNG
(CHEMBL4636083)
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.NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Show InChI InChI=1S/C30H42N6O2/c31-14-18-34-21-19-33(20-22-34)15-6-5-7-24-12-16-35(17-13-24)23-29(37)36-27-10-3-1-8-25(27)30(38)32-26-9-2-4-11-28(26)36/h1-4,8-11,24H,5-7,12-23,31H2,(H,32,38)
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0.182n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay


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))
BDBM50538315
PNG
(CHEMBL4641328)
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.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C58H76N12O5/c59-40-43-37-44(55(72)60-22-31-65-27-18-46(19-28-65)68-29-20-47(21-30-68)69-52-14-5-3-12-50(52)63-58(69)75)39-45(38-43)56(73)61-23-32-66-35-33-64(34-36-66)24-8-7-9-42-16-25-67(26-17-42)41-54(71)70-51-13-4-1-10-48(51)57(74)62-49-11-2-6-15-53(49)70/h1-6,10-15,37-39,42,46-47H,7-9,16-36,40-41,59H2,(H,60,72)(H,61,73)(H,62,74)(H,63,75)
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0.195n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay


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))
BDBM50525144
PNG
(CHEMBL4448933)
Show SMILES Nc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)S(=O)(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C30H34ClN3O3S/c31-24-4-3-5-27(21-24)38(36,37)26-10-8-22(9-11-26)20-23-12-16-33(17-13-23)25-14-18-34(19-15-25)30(35)28-6-1-2-7-29(28)32/h1-11,21,23,25H,12-20,32H2
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0.200n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from human muscarinic M2 receptor expressed in stable CHO-K1 cells incubated for 120 mins by radioligand competition binding...


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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0.240n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competit...


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))
BDBM50525123
PNG
(CHEMBL4568151)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C43H63N9O6.3C2HF3O2/c1-30(2)28-36(48-43(58)35(46-31(3)53)15-16-39(44)54)42(57)45-19-23-50-26-24-49(25-27-50)20-9-8-10-32-17-21-51(22-18-32)29-40(55)52-37-13-6-4-11-33(37)41(56)47-34-12-5-7-14-38(34)52;3*3-2(4,5)1(6)7/h4-7,11-14,30,32,35-36H,8-10,15-29H2,1-3H3,(H2,44,54)(H,45,57)(H,46,53)(H,47,56)(H,48,58);3*(H,6,7)/t35-,36-;;;/m0.../s1
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0.240n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1


ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
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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0.257n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay


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))
BDBM50538321
PNG
(CHEMBL4643159)
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.OC(=O)C(F)(F)F.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/C73H87N15O8/c74-44-53-41-54(70(93)77-33-31-75-66(89)25-23-56-45-85(49-79-56)35-11-9-13-51-27-37-83(38-28-51)47-68(91)87-62-19-5-1-15-58(62)72(95)81-60-17-3-7-21-64(60)87)43-55(42-53)71(94)78-34-32-76-67(90)26-24-57-46-86(50-80-57)36-12-10-14-52-29-39-84(40-30-52)48-69(92)88-63-20-6-2-16-59(63)73(96)82-61-18-4-8-22-65(61)88/h1-8,15-22,41-43,45-46,49-52H,9-14,23-40,44,47-48,74H2,(H,75,89)(H,76,90)(H,77,93)(H,78,94)(H,81,95)(H,82,96)
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0.269n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay


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))
BDBM50525109
PNG
(CHEMBL4448108)
Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc12
Show InChI InChI=1S/C63H76N14O6/c1-72(40-18-8-5-15-33-64-43-54(78)77-57-48(27-21-34-65-57)63(83)71-51-30-24-37-68-60(51)77)38-16-6-3-4-7-17-39-73(2)41-19-9-10-20-42-74(44-55(79)75-52-31-13-11-25-46(52)61(81)69-49-28-22-35-66-58(49)75)45-56(80)76-53-32-14-12-26-47(53)62(82)70-50-29-23-36-67-59(50)76/h11-14,21-32,34-37,64H,3-10,15-20,33,38-45H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
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0.269n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K1 cells after 3 hrs by beta counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50230694
PNG
(CHEMBL295388)
Show SMILES CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C28H38N4O2/c1-3-30(4-2)18-10-9-11-22-16-19-31(20-17-22)21-27(33)32-25-14-7-5-12-23(25)28(34)29-24-13-6-8-15-26(24)32/h5-8,12-15,22H,3-4,9-11,16-21H2,1-2H3,(H,29,34)
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0.316n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from rat heart muscarinic M2 receptor after 60 mins by scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50230694
PNG
(CHEMBL295388)
Show SMILES CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C28H38N4O2/c1-3-30(4-2)18-10-9-11-22-16-19-31(20-17-22)21-27(33)32-25-14-7-5-12-23(25)28(34)29-24-13-6-8-15-26(24)32/h5-8,12-15,22H,3-4,9-11,16-21H2,1-2H3,(H,29,34)
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0.316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from muscarinic M2 receptor (unknown origin) expressed in A9 cells by scintillation counting analysis


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))
BDBM50525118
PNG
(CHEMBL4567026)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C46H68N10O7.3C2HF3O2/c1-31(2)29-38(52-43(60)32(3)49-46(63)37(50-33(4)57)16-17-41(47)58)45(62)48-20-24-54-27-25-53(26-28-54)21-10-9-11-34-18-22-55(23-19-34)30-42(59)56-39-14-7-5-12-35(39)44(61)51-36-13-6-8-15-40(36)56;3*3-2(4,5)1(6)7/h5-8,12-15,31-32,34,37-38H,9-11,16-30H2,1-4H3,(H2,47,58)(H,48,62)(H,49,63)(H,50,57)(H,51,61)(H,52,60);3*(H,6,7)/t32-,37-,38-;;;/m0.../s1
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0.355n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538324
PNG
(CHEMBL4116470)
Show SMILES CCC(=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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0.355n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)p...


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))
BDBM50525143
PNG
(CHEMBL4471882)
Show SMILES CCC(=O)NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C61H80N12O6/c1-2-56(74)64-42-45-39-46(58(76)62-24-33-68-29-20-48(21-30-68)71-31-22-49(23-32-71)72-54-16-7-5-14-52(54)66-61(72)79)41-47(40-45)59(77)63-25-34-69-37-35-67(36-38-69)26-10-9-11-44-18-27-70(28-19-44)43-57(75)73-53-15-6-3-12-50(53)60(78)65-51-13-4-8-17-55(51)73/h3-8,12-17,39-41,44,48-49H,2,9-11,18-38,42-43H2,1H3,(H,62,76)(H,63,77)(H,64,74)(H,65,78)(H,66,79)
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0.363n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265995
PNG
(CHEMBL4097258)
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.CCC(=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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0.407n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 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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0.410n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 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 M4


(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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0.417n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M4 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competit...


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))
BDBM50525119
PNG
(CHEMBL4548432)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C38H54N8O5.3C2HF3O2/c1-27(41-37(50)28(2)40-29(3)47)36(49)39-17-21-44-24-22-43(23-25-44)18-9-8-10-30-15-19-45(20-16-30)26-35(48)46-33-13-6-4-11-31(33)38(51)42-32-12-5-7-14-34(32)46;3*3-2(4,5)1(6)7/h4-7,11-14,27-28,30H,8-10,15-26H2,1-3H3,(H,39,49)(H,40,47)(H,41,50)(H,42,51);3*(H,6,7)/t27-,28-;;;/m0.../s1
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0.427n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method


J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50538317
PNG
(CHEMBL4636083)
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.NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Show InChI InChI=1S/C30H42N6O2/c31-14-18-34-21-19-33(20-22-34)15-6-5-7-24-12-16-35(17-13-24)23-29(37)36-27-10-3-1-8-25(27)30(38)32-26-9-2-4-11-28(26)36/h1-4,8-11,24H,5-7,12-23,31H2,(H,32,38)
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0.447n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M4 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay


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 M4


(Homo sapiens (Human))
BDBM50265995
PNG
(CHEMBL4097258)
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.CCC(=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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0.468n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic acetylcholine receptor M4 expressed in CHOK9 cells after 3 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 M1


(Homo sapiens (Human))
BDBM50557934
PNG
(CHEMBL4794548)
Show SMILES Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(N)c(c4oc4c(c(=N)ccc34)S(O)(=O)=O)S(O)(=O)=O)CC1)c1ccccc1NC2=O |(36.93,-9.73,;38.19,-8.84,;39.64,-9.34,;40.57,-8.11,;39.69,-6.85,;38.21,-7.3,;36.93,-6.44,;35.6,-7.21,;35.6,-8.75,;34.27,-6.44,;32.93,-7.21,;32.93,-8.75,;31.6,-9.52,;30.26,-8.75,;28.93,-9.52,;27.6,-8.76,;26.27,-9.53,;24.93,-8.77,;23.6,-9.54,;22.26,-8.77,;20.93,-9.55,;19.6,-8.78,;18.27,-9.56,;16.93,-8.79,;15.6,-9.57,;15.6,-11.12,;16.95,-11.89,;14.27,-11.9,;12.92,-11.13,;11.59,-11.91,;11.58,-13.46,;12.93,-14.23,;14.27,-13.46,;12.93,-15.78,;14.27,-16.56,;12.51,-17.27,;10.25,-14.22,;10.25,-15.77,;11.58,-16.55,;11.58,-18.09,;10.24,-18.86,;10.23,-20.41,;8.9,-18.09,;8.9,-16.54,;7.56,-15.76,;7.57,-14.21,;6.26,-13.45,;6.26,-11.92,;4.92,-11.13,;7.59,-11.14,;8.92,-11.93,;8.91,-13.46,;4.91,-14.21,;3.57,-13.44,;5.74,-15.5,;4.13,-15.54,;7.54,-18.84,;6.22,-18.07,;8.31,-20.18,;6.77,-20.18,;30.26,-7.21,;31.6,-6.44,;36.83,-4.92,;35.36,-4.47,;35.01,-2.98,;36.14,-1.92,;37.61,-2.37,;37.95,-3.87,;39.48,-4.08,;40.24,-5.42,;41.78,-5.3,)|
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0.501n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competit...


Citation and Details

Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50509512
PNG
(CHEMBL4579623)
Show SMILES [3H]CC([3H])C(=O)NCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C46H78N14O10/c1-6-28(5)37(41(66)57-34(43(68)69)25-27(3)4)58-39(64)33(26-29-16-18-30(61)19-17-29)56-40(65)35-15-12-24-60(35)42(67)32(14-11-22-52-44(48)49)55-38(63)31(47)13-10-23-53-45(50)59-46(70)54-21-9-8-20-51-36(62)7-2/h16-19,27-28,31-35,37,61H,6-15,20-26,47H2,1-5H3,(H,51,62)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,68,69)(H4,48,49,52)(H4,50,53,54,59,70)/t28-,31-,32-,33-,34-,35-,37-/m0/s1/i2T,7T/t7?,28-,31-,32-,33-,34-,35-,37-
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0.510n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1


ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
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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0.525n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay


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))
BDBM50538324
PNG
(CHEMBL4116470)
Show SMILES CCC(=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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0.525n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 4-(2-((1E,3E)-5-((E)-1-(6-((3,5-Bis((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4...


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 M1


(Homo sapiens (Human))
BDBM50538317
PNG
(CHEMBL4636083)
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.NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
Show InChI InChI=1S/C30H42N6O2/c31-14-18-34-21-19-33(20-22-34)15-6-5-7-24-12-16-35(17-13-24)23-29(37)36-27-10-3-1-8-25(27)30(38)32-26-9-2-4-11-28(26)36/h1-4,8-11,24H,5-7,12-23,31H2,(H,32,38)
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0.562n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competit...


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))
BDBM50538319
PNG
(CHEMBL4645845)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C32H41N7O3/c33-16-17-34-30(40)13-12-25-21-38(23-35-25)18-6-5-7-24-14-19-37(20-15-24)22-31(41)39-28-10-3-1-8-26(28)32(42)36-27-9-2-4-11-29(27)39/h1-4,8-11,21,23-24H,5-7,12-20,22,33H2,(H,34,40)(H,36,42)
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0.589n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay


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 M1


(Homo sapiens (Human))
BDBM50538319
PNG
(CHEMBL4645845)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C32H41N7O3/c33-16-17-34-30(40)13-12-25-21-38(23-35-25)18-6-5-7-24-14-19-37(20-15-24)22-31(41)39-28-10-3-1-8-26(28)32(42)36-27-9-2-4-11-29(27)39/h1-4,8-11,21,23-24H,5-7,12-20,22,33H2,(H,34,40)(H,36,42)
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0.589n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competit...


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))
BDBM50538323
PNG
(CHEMBL3140030)
Show SMILES [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)[C@H](CO)c1ccccc1 |r|
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14+,15-,16+,17-/m1/s1
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0.589n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 4-(2-((1E,3E)-5-((E)-1-(6-((3,5-Bis((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4...


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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0.631n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay


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 M1


(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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0.692n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competit...


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))
BDBM50266000
PNG
(CHEMBL4079233)
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.CCC(=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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0.708n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 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))
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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0.710n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 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
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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0.741n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co...


ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
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