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Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'ajmera' and Initial = 's'   
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 M4


(Homo sapiens (Human))
BDBM50240552
PNG
(CHEMBL195)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3|
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-,16?/m1/s1
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0.640n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human recombinant muscarinic M4 receptor expressed in CHO cell membranes


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268390
PNG
(CHEMBL4071900)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
Show InChI InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3
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7.80n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human recombinant muscarinic M4 receptor expressed in CHO cell membranes


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Mus musculus)
BDBM50452155
PNG
(3''-FFdUrd | CHEMBL1098358)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1F)n1cc(F)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H10F2N2O4/c10-4-1-7(17-6(4)3-14)13-2-5(11)8(15)12-9(13)16/h2,4,6-7,14H,1,3H2,(H,12,15,16)/t4-,6+,7+/m0/s1
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1.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for non-competitive inhibition of cleavage of Thymidine (dThd) phosphorylase isolated from Lewis lung carcinoma.


J Med Chem 27: 11-4 (1984)


BindingDB Entry DOI: 10.7270/Q2J67FXS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268370
PNG
(CHEMBL4094472)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C |r|
Show InChI InChI=1S/C19H28N6O3S/c1-14-6-4-5-9-25(14)18-8-7-17(20-21-18)23-10-12-24(13-11-23)29(26,27)19-15(2)22-28-16(19)3/h7-8,14H,4-6,9-13H2,1-3H3/t14-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268370
PNG
(CHEMBL4094472)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C |r|
Show InChI InChI=1S/C19H28N6O3S/c1-14-6-4-5-9-25(14)18-8-7-17(20-21-18)23-10-12-24(13-11-23)29(26,27)19-15(2)22-28-16(19)3/h7-8,14H,4-6,9-13H2,1-3H3/t14-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268390
PNG
(CHEMBL4071900)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
Show InChI InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3
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n/an/a 110n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268390
PNG
(CHEMBL4071900)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
Show InChI InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3
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n/an/a 120n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268394
PNG
(CHEMBL4078634)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C21H27N5O4S/c1-16-4-2-3-9-26(16)21-8-7-20(22-23-21)24-10-12-25(13-11-24)31(27,28)17-5-6-18-19(14-17)30-15-29-18/h5-8,14,16H,2-4,9-13,15H2,1H3/t16-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268394
PNG
(CHEMBL4078634)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C21H27N5O4S/c1-16-4-2-3-9-26(16)21-8-7-20(22-23-21)24-10-12-25(13-11-24)31(27,28)17-5-6-18-19(14-17)30-15-29-18/h5-8,14,16H,2-4,9-13,15H2,1H3/t16-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50268390
PNG
(CHEMBL4071900)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
Show InChI InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3
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n/an/a 288n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M1 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268391
PNG
(CHEMBL4101349)
Show SMILES O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H27N5O4S/c27-31(28,17-5-6-18-19(15-17)30-16-29-18)26-13-11-25(12-14-26)21-8-7-20(22-23-21)24-9-3-1-2-4-10-24/h5-8,15H,1-4,9-14,16H2
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n/an/a 288n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268391
PNG
(CHEMBL4101349)
Show SMILES O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H27N5O4S/c27-31(28,17-5-6-18-19(15-17)30-16-29-18)26-13-11-25(12-14-26)21-8-7-20(22-23-21)24-9-3-1-2-4-10-24/h5-8,15H,1-4,9-14,16H2
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n/an/a 290n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50268390
PNG
(CHEMBL4071900)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
Show InChI InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3
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n/an/a 352n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268357
PNG
(CHEMBL4083366)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCCC1
Show InChI InChI=1S/C19H28N6O3S/c1-15-19(16(2)28-22-15)29(26,27)25-13-11-24(12-14-25)18-8-7-17(20-21-18)23-9-5-3-4-6-10-23/h7-8H,3-6,9-14H2,1-2H3
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n/an/a 407n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268343
PNG
(CHEMBL4096727)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-6-4-5-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-8-3-2-7-17(18)21/h2-3,7-10,16H,4-6,11-15H2,1H3/t16-/m0/s1
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n/an/a 427n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268357
PNG
(CHEMBL4083366)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCCC1
Show InChI InChI=1S/C19H28N6O3S/c1-15-19(16(2)28-22-15)29(26,27)25-13-11-24(12-14-25)18-8-7-17(20-21-18)23-9-5-3-4-6-10-23/h7-8H,3-6,9-14H2,1-2H3
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n/an/a 430n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268343
PNG
(CHEMBL4096727)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-6-4-5-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-8-3-2-7-17(18)21/h2-3,7-10,16H,4-6,11-15H2,1H3/t16-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268356
PNG
(CHEMBL4060501)
Show SMILES CC1(C)CCCN(C1)c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H29N5O4S/c1-22(2)8-3-9-26(15-22)21-7-6-20(23-24-21)25-10-12-27(13-11-25)32(28,29)17-4-5-18-19(14-17)31-16-30-18/h4-7,14H,3,8-13,15-16H2,1-2H3
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n/an/a 457n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268356
PNG
(CHEMBL4060501)
Show SMILES CC1(C)CCCN(C1)c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H29N5O4S/c1-22(2)8-3-9-26(15-22)21-7-6-20(23-24-21)25-10-12-27(13-11-25)32(28,29)17-4-5-18-19(14-17)31-16-30-18/h4-7,14H,3,8-13,15-16H2,1-2H3
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n/an/a 470n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268360
PNG
(CHEMBL4060443)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H26F3N5O2S/c1-16-6-4-5-11-29(16)20-10-9-19(25-26-20)27-12-14-28(15-13-27)32(30,31)18-8-3-2-7-17(18)21(22,23)24/h2-3,7-10,16H,4-6,11-15H2,1H3/t16-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268360
PNG
(CHEMBL4060443)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H26F3N5O2S/c1-16-6-4-5-11-29(16)20-10-9-19(25-26-20)27-12-14-28(15-13-27)32(30,31)18-8-3-2-7-17(18)21(22,23)24/h2-3,7-10,16H,4-6,11-15H2,1H3/t16-/m0/s1
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n/an/a 525n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268342
PNG
(CHEMBL4078704)
Show SMILES CC1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-6-4-5-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-8-3-2-7-17(18)21/h2-3,7-10,16H,4-6,11-15H2,1H3
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n/an/a 530n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268354
PNG
(CHEMBL4063271)
Show SMILES O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H25N5O4S/c26-30(27,16-4-5-17-18(14-16)29-15-28-17)25-12-10-24(11-13-25)20-7-6-19(21-22-20)23-8-2-1-3-9-23/h4-7,14H,1-3,8-13,15H2
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n/an/a 661n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268393
PNG
(CHEMBL4091095)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-5-2-3-10-26(16)20-9-8-19(22-23-20)24-11-13-25(14-12-24)29(27,28)18-7-4-6-17(21)15-18/h4,6-9,15-16H,2-3,5,10-14H2,1H3/t16-/m0/s1
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n/an/a 708n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268354
PNG
(CHEMBL4063271)
Show SMILES O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H25N5O4S/c26-30(27,16-4-5-17-18(14-16)29-15-28-17)25-12-10-24(11-13-25)20-7-6-19(21-22-20)23-8-2-1-3-9-23/h4-7,14H,1-3,8-13,15H2
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n/an/a 730n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268393
PNG
(CHEMBL4091095)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-5-2-3-10-26(16)20-9-8-19(22-23-20)24-11-13-25(14-12-24)29(27,28)18-7-4-6-17(21)15-18/h4,6-9,15-16H,2-3,5,10-14H2,1H3/t16-/m0/s1
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n/an/a 760n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50268390
PNG
(CHEMBL4071900)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
Show InChI InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3
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n/an/a 782n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268361
PNG
(CHEMBL4082397)
Show SMILES CC1(C)CCCN(C1)c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H28ClN5O2S/c1-21(2)10-5-11-26(16-21)20-9-8-19(23-24-20)25-12-14-27(15-13-25)30(28,29)18-7-4-3-6-17(18)22/h3-4,6-9H,5,10-16H2,1-2H3
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n/an/a 933n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268361
PNG
(CHEMBL4082397)
Show SMILES CC1(C)CCCN(C1)c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H28ClN5O2S/c1-21(2)10-5-11-26(16-21)20-9-8-19(23-24-20)25-12-14-27(15-13-25)30(28,29)18-7-4-3-6-17(18)22/h3-4,6-9H,5,10-16H2,1-2H3
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n/an/a 940n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50268343
PNG
(CHEMBL4096727)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-6-4-5-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-8-3-2-7-17(18)21/h2-3,7-10,16H,4-6,11-15H2,1H3/t16-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor by calcium mobilization assay


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268342
PNG
(CHEMBL4078704)
Show SMILES CC1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-6-4-5-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-8-3-2-7-17(18)21/h2-3,7-10,16H,4-6,11-15H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268342
PNG
(CHEMBL4078704)
Show SMILES CC1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-6-4-5-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-8-3-2-7-17(18)21/h2-3,7-10,16H,4-6,11-15H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50268390
PNG
(CHEMBL4071900)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
Show InChI InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M5 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268353
PNG
(CHEMBL4073915)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H28N6O2S/c1-18-5-2-3-12-29(18)23-10-9-22(25-26-23)27-13-15-28(16-14-27)32(30,31)20-7-8-21-19(17-20)6-4-11-24-21/h4,6-11,17-18H,2-3,5,12-16H2,1H3/t18-/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268353
PNG
(CHEMBL4073915)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H28N6O2S/c1-18-5-2-3-12-29(18)23-10-9-22(25-26-23)27-13-15-28(16-14-27)32(30,31)20-7-8-21-19(17-20)6-4-11-24-21/h4,6-11,17-18H,2-3,5,12-16H2,1H3/t18-/m0/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50268343
PNG
(CHEMBL4096727)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-6-4-5-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-8-3-2-7-17(18)21/h2-3,7-10,16H,4-6,11-15H2,1H3/t16-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268379
PNG
(CHEMBL4091144)
Show SMILES Clc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCCC1
Show InChI InChI=1S/C20H26ClN5O2S/c21-17-7-3-4-8-18(17)29(27,28)26-15-13-25(14-16-26)20-10-9-19(22-23-20)24-11-5-1-2-6-12-24/h3-4,7-10H,1-2,5-6,11-16H2
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n/an/a 1.26E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268379
PNG
(CHEMBL4091144)
Show SMILES Clc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCCC1
Show InChI InChI=1S/C20H26ClN5O2S/c21-17-7-3-4-8-18(17)29(27,28)26-15-13-25(14-16-26)20-10-9-19(22-23-20)24-11-5-1-2-6-12-24/h3-4,7-10H,1-2,5-6,11-16H2
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n/an/a 1.27E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50268343
PNG
(CHEMBL4096727)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-6-4-5-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-8-3-2-7-17(18)21/h2-3,7-10,16H,4-6,11-15H2,1H3/t16-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M1 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268389
PNG
(CHEMBL4100202)
Show SMILES C[C@H]1CCCCN1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C23H29N3O4S/c1-18-4-2-3-11-26(18)20-7-5-19(6-8-20)24-12-14-25(15-13-24)31(27,28)21-9-10-22-23(16-21)30-17-29-22/h5-10,16,18H,2-4,11-15,17H2,1H3/t18-/m0/s1
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n/an/a 1.33E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268351
PNG
(CHEMBL4092457)
Show SMILES C[C@H]1CCCCN1c1ccc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C22H28N4O4S/c1-17-4-2-3-9-26(17)18-5-8-22(23-15-18)24-10-12-25(13-11-24)31(27,28)19-6-7-20-21(14-19)30-16-29-20/h5-8,14-15,17H,2-4,9-13,16H2,1H3/t17-/m0/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50268343
PNG
(CHEMBL4096727)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-6-4-5-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-8-3-2-7-17(18)21/h2-3,7-10,16H,4-6,11-15H2,1H3/t16-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M1 receptor by calcium mobilization assay


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50174739
PNG
(CHEMBL3808906)
Show SMILES CCCCN(C1CCN(CC1)c1ncnc2sc(C)c(C)c12)c1ccc(C)nc1
Show InChI InChI=1S/C23H31N5S/c1-5-6-11-28(20-8-7-16(2)24-14-20)19-9-12-27(13-10-19)22-21-17(3)18(4)29-23(21)26-15-25-22/h7-8,14-15,19H,5-6,9-13H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268355
PNG
(CHEMBL4088672)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1nccn1C |r|
Show InChI InChI=1S/C18H27N7O2S/c1-15-5-3-4-9-25(15)17-7-6-16(20-21-17)23-11-13-24(14-12-23)28(26,27)18-19-8-10-22(18)2/h6-8,10,15H,3-5,9,11-14H2,1-2H3/t15-/m0/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268355
PNG
(CHEMBL4088672)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1nccn1C |r|
Show InChI InChI=1S/C18H27N7O2S/c1-15-5-3-4-9-25(15)17-7-6-16(20-21-17)23-11-13-24(14-12-23)28(26,27)18-19-8-10-22(18)2/h6-8,10,15H,3-5,9,11-14H2,1-2H3/t15-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268387
PNG
(CHEMBL4070135)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-4-2-3-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-7-5-17(21)6-8-18/h5-10,16H,2-4,11-15H2,1H3/t16-/m0/s1
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n/an/a 2.29E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268387
PNG
(CHEMBL4070135)
Show SMILES C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H26ClN5O2S/c1-16-4-2-3-11-26(16)20-10-9-19(22-23-20)24-12-14-25(15-13-24)29(27,28)18-7-5-17(21)6-8-18/h5-10,16H,2-4,11-15H2,1H3/t16-/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268386
PNG
(CHEMBL4080796)
Show SMILES COc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC[C@@H]1C |r|
Show InChI InChI=1S/C21H29N5O3S/c1-17-7-5-6-12-26(17)21-11-10-20(22-23-21)24-13-15-25(16-14-24)30(27,28)19-9-4-3-8-18(19)29-2/h3-4,8-11,17H,5-7,12-16H2,1-2H3/t17-/m0/s1
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n/an/a 2.38E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268386
PNG
(CHEMBL4080796)
Show SMILES COc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC[C@@H]1C |r|
Show InChI InChI=1S/C21H29N5O3S/c1-17-7-5-6-12-26(17)21-11-10-20(22-23-21)24-13-15-25(16-14-24)30(27,28)19-9-4-3-8-18(19)29-2/h3-4,8-11,17H,5-7,12-16H2,1-2H3/t17-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by ...


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50174738
PNG
(CHEMBL3808947)
Show SMILES CCCN(C1CCN(CC1)c1ncnc2sc(C)c(C)c12)c1ccc(C)nc1
Show InChI InChI=1S/C22H29N5S/c1-5-10-27(19-7-6-15(2)23-13-19)18-8-11-26(12-9-18)21-20-16(3)17(4)28-22(20)25-14-24-21/h6-7,13-14,18H,5,8-12H2,1-4H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 3029-33 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.010
BindingDB Entry DOI: 10.7270/Q2DV1MTJ
More data for this
Ligand-Target Pair
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