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Compile Data Set for Download or QSAR

Found 2560 hits with Last Name = 'clark' and Initial = 't'   
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
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50578268
PNG
(CHEMBL4856311)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
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UniChem
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0.0330n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01574
BindingDB Entry DOI: 10.7270/Q2VH5SNG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50578262
PNG
(CHEMBL4873376)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
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0.0480n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01574
BindingDB Entry DOI: 10.7270/Q2VH5SNG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568858
PNG
(CHEMBL4856113)
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](CCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
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0.0794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568832
PNG
(CHEMBL4597498)
Show SMILES 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|
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568851
PNG
(CHEMBL4864727)
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.N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
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0.102n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568856
PNG
(CHEMBL4859378)
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](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN |r|
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0.105n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50578272
PNG
(CHEMBL4857577)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
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0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01574
BindingDB Entry DOI: 10.7270/Q2VH5SNG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568885
PNG
(CHEMBL4871700)
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.NC(=N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(O)=O |r|
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0.141n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568888
PNG
(CHEMBL4861252)
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](CCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
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0.151n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568859
PNG
(CHEMBL4874955)
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)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(N)=N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
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0.178n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568838
PNG
(CHEMBL4878646)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
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0.186n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568867
PNG
(CHEMBL4852868)
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)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
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0.186n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568852
PNG
(CHEMBL4851514)
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](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
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0.191n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568857
PNG
(CHEMBL4855492)
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](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
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0.195n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
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


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568887
PNG
(CHEMBL4852186)
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](CCCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
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0.204n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568853
PNG
(CHEMBL4862735)
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)CNC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
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0.209n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568901
PNG
(CHEMBL4876725)
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)NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H]1CC(=O)NCCC[C@H](N1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
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0.214n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568863
PNG
(CHEMBL4876453)
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)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
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0.214n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568850
PNG
(CHEMBL4870127)
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.N[C@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
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0.229n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568854
PNG
(CHEMBL4864987)
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](NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
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0.240n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50578266
PNG
(CHEMBL4848958)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
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0.240n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01574
BindingDB Entry DOI: 10.7270/Q2VH5SNG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568864
PNG
(CHEMBL4854886)
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](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
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0.251n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568865
PNG
(CHEMBL4863285)
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](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
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0.257n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568864
PNG
(CHEMBL4854886)
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](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
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0.269n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine receptor M2 expressed in human HEK293T cells coexpressing NlucN-mini-Gsi assessed as inhibition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568861
PNG
(CHEMBL4858398)
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.NC(=N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(O)=O |r|
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0.275n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568886
PNG
(CHEMBL4871153)
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](CCCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
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0.288n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568884
PNG
(CHEMBL4878717)
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.NC(=N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
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0.295n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568855
PNG
(CHEMBL4847898)
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)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
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0.309n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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 human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568866
PNG
(CHEMBL4856659)
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](CCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
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0.316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568862
PNG
(CHEMBL4862996)
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](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
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0.331n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568902
PNG
(CHEMBL4852646)
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)NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H]1CC(=O)NCCC[C@H](N1)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
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0.355n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568868
PNG
(CHEMBL4872608)
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](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
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0.380n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418229
PNG
(CHEMBL1760646)
Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32)
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0.398n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50383117
PNG
(CHEMBL2031737)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C22H22N2O4/c1-15-3-2-11-23(15)12-10-20-14-18-13-17(6-9-21(18)28-20)22(25)16-4-7-19(8-5-16)24(26)27/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human H3 receptor


J Med Chem 55: 2406-15 (2012)


Article DOI: 10.1021/jm201690h
BindingDB Entry DOI: 10.7270/Q2BR8T6Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50568852
PNG
(CHEMBL4851514)
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](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
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0.479n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M1 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568860
PNG
(CHEMBL4850130)
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.N[C@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
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0.589n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50578271
PNG
(CHEMBL4860290)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
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0.660n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01574
BindingDB Entry DOI: 10.7270/Q2VH5SNG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50568852
PNG
(CHEMBL4851514)
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](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
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0.661n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M4 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50528183
PNG
(CHEMBL4540843)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C185H287N53O54S2/c1-20-92(10)144(175(286)228-125(84-137(190)248)164(275)215-115(64-75-294-19)159(270)222-121(78-90(6)7)167(278)232-145(98(16)239)176(287)219-116(33-24-68-203-185(198)199)178(289)236-71-27-36-131(236)170(281)216-110(32-23-67-202-184(196)197)154(265)220-118(147(191)258)79-100-39-47-104(241)48-40-100)231-168(279)123(81-102-43-51-106(243)52-44-102)225-155(266)109(31-22-66-201-183(194)195)211-153(264)108(30-21-65-200-182(192)193)212-162(273)119(76-88(2)3)223-166(277)127(86-142(256)257)221-150(261)95(13)205-148(259)94(12)207-160(271)122(80-101-41-49-105(242)50-42-101)224-158(269)111(55-59-134(187)245)210-149(260)96(14)206-152(263)114(63-74-293-18)214-156(267)112(56-60-135(188)246)213-157(268)113(57-61-139(250)251)217-171(282)132-37-29-73-238(132)181(292)146(99(17)240)233-151(262)97(15)208-161(272)124(83-136(189)247)226-165(276)126(85-141(254)255)209-138(249)87-204-169(280)129-34-25-70-235(129)180(291)128(82-103-45-53-107(244)54-46-103)229-174(285)143(91(8)9)230-173(284)133-38-28-72-237(133)179(290)117(58-62-140(252)253)218-163(274)120(77-89(4)5)227-172(283)130-35-26-69-234(130)177(288)93(11)186/h39-54,88-99,108-133,143-146,239-244H,20-38,55-87,186H2,1-19H3,(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,248)(H2,191,258)(H,204,280)(H,205,259)(H,206,263)(H,207,271)(H,208,272)(H,209,249)(H,210,260)(H,211,264)(H,212,273)(H,213,268)(H,214,267)(H,215,275)(H,216,281)(H,217,282)(H,218,274)(H,219,287)(H,220,265)(H,221,261)(H,222,270)(H,223,277)(H,224,269)(H,225,266)(H,226,276)(H,227,283)(H,228,286)(H,229,285)(H,230,284)(H,231,279)(H,232,278)(H,233,262)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H4,192,193,200)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/t92-,93-,94-,95-,96-,97-,98+,99+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,143-,144-,145-,146-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.690n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01574
BindingDB Entry DOI: 10.7270/Q2VH5SNG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50568850
PNG
(CHEMBL4870127)
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.N[C@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
UniProtKB/SwissProt

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UniChem
Article
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0.692n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M1 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50568853
PNG
(CHEMBL4862735)
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)CNC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
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UniProtKB/SwissProt

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UniChem
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0.724n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M4 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50568854
PNG
(CHEMBL4864987)
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](NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
UniProtKB/SwissProt

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UniChem
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0.724n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M1 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50568855
PNG
(CHEMBL4847898)
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)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
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UniProtKB/SwissProt

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UniChem
Article
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0.741n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M4 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418228
PNG
(CHEMBL1760645)
Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31)
PDB

NCI pathway
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UniChem

Similars

Article
PubMed
0.794n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50265996
PNG
(CHEMBL4059733)
Show SMILES CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)
PDB

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0.794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50568851
PNG
(CHEMBL4864727)
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.N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
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0.794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M4 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50568883
PNG
(CHEMBL4865939)
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](CCCNC(N)=N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
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0.832n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50568855
PNG
(CHEMBL4847898)
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)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
UniProtKB/SwissProt

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PC sid
UniChem
Article
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0.851n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-NMS from human muscarinic M1 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113159
BindingDB Entry DOI: 10.7270/Q2F47SWV
More data for this
Ligand-Target Pair
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