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Compile Data Set for Download or QSAR

Found 137 hits of kd for UniProtKB: P11229   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281903
PNG
((S)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m0/s1
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n/an/an/a 1.80n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228565
PNG
(CHEMBL108557)
Show SMILES CN(C)CC#CC1CCCCCN1C(C)=O
MMDB

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n/an/an/a 7.00E+3n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228566
PNG
(CHEMBL2092932)
Show SMILES C[C@@H](C#CCN1CCCC1)N(C)C(C)=O
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n/an/an/a 3.23E+3n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228567
PNG
(CHEMBL2092931)
Show SMILES CC(=O)N1CCCCC[C@H]1C#CCN1CCCC1
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n/an/an/a 7.85E+3n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228568
PNG
(CHEMBL322126)
Show SMILES CC(=O)N1CCC[C@H]1C#CCN1CCCC1
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n/an/an/a 1.60E+4n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228569
PNG
(CHEMBL1788225)
Show SMILES CC(=O)N1CCCCC[C@@H]1C#CCN1CCCC1
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n/an/an/a 161n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228570
PNG
(CHEMBL1788202)
Show SMILES C[C@H](C#CCN1CCCC1)N(C)C(C)=O
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n/an/an/a 200n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228571
PNG
(CHEMBL107456)
Show SMILES CC(=O)N1CCCCC1C#CCN1CCCC1
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n/an/an/a 97n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228572
PNG
(CHEMBL432629)
Show SMILES CC(=O)N1CCCCCC1C#CCN1CCCC1
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n/an/an/a 110n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228573
PNG
(CHEMBL106056)
Show SMILES CC(=O)N1CCCCCC1C#CC[N+](C)(C)C
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n/an/an/a 3.55E+3n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228071
PNG
(CHEMBL110892)
Show SMILES CC(=O)N1CCCC1C#CCN1CCCC1
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n/an/an/a 1.40E+3n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228574
PNG
(CHEMBL108582)
Show SMILES CN(C)CC#CC1CCCCN1C(C)=O
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n/an/an/a 8.30E+3n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228087
PNG
(CHEMBL323032)
Show SMILES CN(C)CC#CC1CCCN1C(C)=O
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n/an/an/a 1.25E+5n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228576
PNG
(CHEMBL2092930)
Show SMILES CC(=O)N1CCCC[C@@H]1C#CCN1CCCC1
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n/an/an/a 80n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228577
PNG
(CHEMBL1788224)
Show SMILES CC(=O)N1CCC[C@@H]1C#CCN1CCCC1
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n/an/an/a 1.16E+3n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228578
PNG
(CHEMBL111327)
Show SMILES CC(=O)N1CCCC1C#CC[N+](C)(C)C
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n/an/an/a 4.95E+4n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50228579
PNG
(CHEMBL1788219)
Show SMILES CC(=O)N1CCCC[C@H]1C#CCN1CCCC1
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n/an/an/a 6.32E+3n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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n/an/an/a 0.900n/an/an/an/an/a



Uppsala University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50151216
PNG
(CHEMBL2368391 | difluoro(2-{[(2Z)-1-methyl-5-{2-[(...)
Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12
Show InChI InChI=1S/C50H61BF2N10O5S/c52-51(53)62-37(19-20-38(62)35-39-21-23-43(63(39)51)44-16-12-34-69-44)22-24-47(66)56-26-8-2-4-17-45(64)54-25-7-1-3-18-46(65)55-27-9-10-29-59-30-32-60(33-31-59)36-48(67)61-42-15-6-5-13-40(42)50(68)58-41-14-11-28-57-49(41)61/h5-6,11-16,19-21,23,28,34-35H,1-4,7-10,17-18,22,24-27,29-33,36H2,(H,54,64)(H,55,65)(H,56,66)(H,58,68)
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n/an/an/a 13n/an/an/an/an/a



UMR CNRS/ULP 7081

Curated by ChEMBL


Assay Description
Apparent dissociation constant for human muscarinic receptor M1 from FRET based binding assay


J Med Chem 47: 4300-15 (2004)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50151214
PNG
(CHEMBL2368390 | difluoro(2-{[(2Z)-1-methyl-5-[2-({...)
Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12
Show InChI InChI=1S/C40H43BF2N8O5S/c42-41(43)50-29(9-10-30(50)27-31-11-13-35(51(31)41)36-8-4-26-57-36)12-14-37(52)44-16-22-55-24-25-56-23-21-47-17-19-48(20-18-47)28-38(53)49-34-7-2-1-5-32(34)40(54)46-33-6-3-15-45-39(33)49/h1-11,13,15,26-27H,12,14,16-25,28H2,(H,44,52)(H,46,54)
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n/an/an/a 22n/an/an/an/an/a



UMR CNRS/ULP 7081

Curated by ChEMBL


Assay Description
Apparent dissociation constant for human muscarinic receptor M1 from FRET based binding assay


J Med Chem 47: 4300-15 (2004)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50151219
PNG
((2E)-2-[(2E)-3-[3,3-dimethyl-1-(5-{[2-(2-{2-[4-(2-...)
Show SMILES CCN1\C(=C\C=C\C2N(CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
Show InChI InChI=1S/C55H70N8O11S2/c1-6-61-46-22-20-39(75(67,68)69)36-42(46)54(2,3)48(61)17-12-18-49-55(4,5)43-37-40(76(70,71)72)21-23-47(43)62(49)26-11-7-8-19-50(64)56-25-32-73-34-35-74-33-31-59-27-29-60(30-28-59)38-51(65)63-45-16-10-9-14-41(45)53(66)58-44-15-13-24-57-52(44)63/h9-10,12-18,20-24,36-37,49H,6-8,11,19,25-35,38H2,1-5H3,(H,56,64)(H,58,66)(H,67,68,69)(H,70,71,72)/p-2/b18-12+,48-17+
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n/an/an/a 36n/an/an/an/an/a



UMR CNRS/ULP 7081

Curated by ChEMBL


Assay Description
Apparent dissociation constant for human muscarinic receptor M1 from FRET based binding assay


J Med Chem 47: 4300-15 (2004)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50151215
PNG
(2-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthe...)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)N(C)CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C58H73N9O11S2/c1-6-65(7-2)42-20-23-46-51(38-42)78-52-39-43(66(8-3)9-4)21-24-47(52)56(46)48-25-22-44(40-53(48)80(73,74)75)79(71,72)62(5)28-14-10-11-19-54(68)59-27-34-76-36-37-77-35-33-63-29-31-64(32-30-63)41-55(69)67-50-18-13-12-16-45(50)58(70)61-49-17-15-26-60-57(49)67/h12-13,15-18,20-26,38-40H,6-11,14,19,27-37,41H2,1-5H3,(H2-,59,61,68,70,73,74,75)
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n/an/an/a 19n/an/an/an/an/a



UMR CNRS/ULP 7081

Curated by ChEMBL


Assay Description
Apparent dissociation constant for human muscarinic receptor M1 from FRET based binding assay


J Med Chem 47: 4300-15 (2004)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 0.0400n/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding of [3H]-QNB to HM1 receptor was evaluated by saturation binding assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 0.0300n/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding of [3H]-QNB to HM1 receptor was evaluated by saturation binding assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/a 1.74E+4n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50075195
PNG
(CHEMBL3414847)
Show SMILES CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(O)=O)c(=O)c5cccc(F)c45)ccc3c2)C1=O
Show InChI InChI=1/C38H44FN3O5S/c1-2-33-36(44)42(38(48-33)16-18-40-19-17-38)20-7-5-3-4-6-8-21-47-29-15-14-27-22-26(12-13-28(27)23-29)24-41-25-31(37(45)46)35(43)30-10-9-11-32(39)34(30)41/h9-15,22-23,25,33,40H,2-8,16-21,24H2,1H3,(H,45,46)/t33-/s2
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n/an/an/a 166n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50313638
PNG
(1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
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n/an/an/a 5.50E+4n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50448377
PNG
(CHEMBL3121473)
Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1
Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1
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n/an/an/a 2.14E+3n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50008072
PNG
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)
Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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n/an/an/a 2.69E+3n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50075196
PNG
(CHEMBL3414838)
Show SMILES C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O)CC#CCOC1=NOCC1
Show InChI InChI=1S/C30H33FN4O4/c1-35(2,18-8-9-19-38-27-15-20-39-33-27)17-7-6-16-32-30(37)25-22-34(21-23-11-4-3-5-12-23)28-24(29(25)36)13-10-14-26(28)31/h3-5,10-14,22H,6-7,15-21H2,1-2H3/p+1
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n/an/an/a 151n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50075197
PNG
(CHEMBL3414839)
Show SMILES C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O)CC#CCOC1=NOCC1
Show InChI InChI=1S/C30H33BrN4O4/c1-35(2,17-8-9-18-38-28-14-19-39-33-28)16-7-6-15-32-30(37)26-22-34(21-23-10-4-3-5-11-23)27-20-24(31)12-13-25(27)29(26)36/h3-5,10-13,20,22H,6-7,14-19,21H2,1-2H3/p+1
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n/an/an/a 141n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50075198
PNG
(CHEMBL3414840)
Show SMILES C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O)CC#CCOC1=NOCC1
Show InChI InChI=1S/C30H32ClFN4O4/c1-36(2,15-8-9-16-39-28-12-17-40-34-28)14-7-6-13-33-30(38)24-21-35(20-22-10-4-3-5-11-22)27-19-25(31)26(32)18-23(27)29(24)37/h3-5,10-11,18-19,21H,6-7,12-17,20H2,1-2H3/p+1
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n/an/an/a 72n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50075199
PNG
(CHEMBL3414841)
Show SMILES C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O)CC#CCOC1=NOCC1
Show InChI InChI=1S/C32H37FN4O4/c1-37(2,20-10-11-21-40-29-17-22-41-35-29)19-9-4-3-8-18-34-32(39)27-24-36(23-25-13-6-5-7-14-25)30-26(31(27)38)15-12-16-28(30)33/h5-7,12-16,24H,3-4,8-9,17-23H2,1-2H3/p+1
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n/an/an/a 490n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50075200
PNG
(CHEMBL3414842)
Show SMILES C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O)CC#CCOC1=NOCC1
Show InChI InChI=1S/C32H37BrN4O4/c1-37(2,19-10-11-20-40-30-16-21-41-35-30)18-9-4-3-8-17-34-32(39)28-24-36(23-25-12-6-5-7-13-25)29-22-26(33)14-15-27(29)31(28)38/h5-7,12-15,22,24H,3-4,8-9,16-21,23H2,1-2H3/p+1
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n/an/an/a 74n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50075201
PNG
(CHEMBL3414843)
Show SMILES C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O)CC#CCOC1=NOCC1
Show InChI InChI=1S/C32H36ClFN4O4/c1-38(2,17-10-11-18-41-30-14-19-42-36-30)16-9-4-3-8-15-35-32(40)26-23-37(22-24-12-6-5-7-13-24)29-21-27(33)28(34)20-25(29)31(26)39/h5-7,12-13,20-21,23H,3-4,8-9,14-19,22H2,1-2H3/p+1
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n/an/an/a 851n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50075202
PNG
(CHEMBL3414844)
Show SMILES C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O)CC#CCOC1=NOCC1
Show InChI InChI=1S/C32H37FN4O4/c1-37(2,19-10-11-20-40-30-16-21-41-35-30)18-9-4-3-8-17-34-32(39)28-24-36(23-25-12-6-5-7-13-25)29-15-14-26(33)22-27(29)31(28)38/h5-7,12-15,22,24H,3-4,8-9,16-21,23H2,1-2H3/p+1
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n/an/an/a 151n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50008072
PNG
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)
Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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n/an/an/a 2.69E+3n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 acetylcholine receptor (unknown origin)


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/a 1.74E+4n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 acetylcholine receptor (unknown origin)


J Med Chem 58: 560-76 (2015)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50280521
PNG
((4R,5S)-5-Methyl-4-[(E)-3-((R)-1-methyl-piperidin-...)
Show SMILES C[C@@H]1OC(=O)C[C@H]1C\C=C\[C@H]1CCCCN1C
Show InChI InChI=1S/C14H23NO2/c1-11-12(10-14(16)17-11)6-5-8-13-7-3-4-9-15(13)2/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3/b8-5+/t11-,12+,13+/m0/s1
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n/an/an/a 9.70E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant of the compound for human Muscarinic acetylcholine receptor M1 was determined.


Bioorg Med Chem Lett 2: 797-802 (1992)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281904
PNG
(2-[(E)-3-(9,10-Dihydro-anthracen-9-yl)-allyl]-1-me...)
Show SMILES CN1CCCCC1C\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C23H27N/c1-24-16-7-6-11-20(24)12-8-15-23-21-13-4-2-9-18(21)17-19-10-3-5-14-22(19)23/h2-5,8-10,13-15,20,23H,6-7,11-12,16-17H2,1H3/b15-8+
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n/an/an/a 5.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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n/an/an/a 168n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281905
PNG
(2-[3-(10H-Anthracen-9-ylidene)-propyl]-1-methyl-pi...)
Show SMILES CN1CCCCC1CCC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C23H27N/c1-24-16-7-6-11-20(24)12-8-15-23-21-13-4-2-9-18(21)17-19-10-3-5-14-22(19)23/h2-5,9-10,13-15,20H,6-8,11-12,16-17H2,1H3
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n/an/an/a 5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281902
PNG
((R)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES CN1CCCC[C@@H]1CC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m1/s1
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n/an/an/a 2.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281907
PNG
((S)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES CN1CCCC[C@H]1CC=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m0/s1
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n/an/an/a 24n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281906
PNG
(2-[(E)-2-(9,9a-Dihydro-4aH-xanthen-9-yl)-vinyl]-1-...)
Show SMILES CN1CCCCC1\C=C\C1C2C=CC=CC2Oc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-22-15-7-6-8-16(22)13-14-17-18-9-2-4-11-20(18)23-21-12-5-3-10-19(17)21/h2-5,9-14,16-18,20H,6-8,15H2,1H3/b14-13+
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n/an/an/a 3.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281908
PNG
(2-((E)-2-Anthracen-9-yl-vinyl)-1-methyl-piperidine...)
Show SMILES CN1CCCCC1\C=C\c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C22H23N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,16,19H,6-7,10,15H2,1H3/b14-13+
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n/an/an/a 679n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50280521
PNG
((4R,5S)-5-Methyl-4-[(E)-3-((R)-1-methyl-piperidin-...)
Show SMILES C[C@@H]1OC(=O)C[C@H]1C\C=C\[C@H]1CCCCN1C
Show InChI InChI=1S/C14H23NO2/c1-11-12(10-14(16)17-11)6-5-8-13-7-3-4-9-15(13)2/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3/b8-5+/t11-,12+,13+/m0/s1
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n/an/an/a 9.70E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50281909
PNG
((R)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m1/s1
UniProtKB/SwissProt

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n/an/an/a 1.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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n/an/an/a 148n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]-quinuclidin...


Bioorg Med Chem Lett 5: 61-66 (1995)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50284319
PNG
((2S,6R)-1,2-Dimethyl-6-[(E)-2-((3S,3aR,4R,4aS,8aR,...)
Show SMILES C[C@@H]1OC[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H37NO/c1-15-7-6-9-19(23(15)3)11-12-21-20-10-5-4-8-17(20)13-18-14-24-16(2)22(18)21/h11-12,15-22H,4-10,13-14H2,1-3H3/b12-11+/t15-,16-,17+,18+,19+,20-,21+,22-/m0/s1
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n/an/an/a 167n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]-quinuclidin...


Bioorg Med Chem Lett 5: 61-66 (1995)

More data for this
Ligand-Target Pair
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