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Compile Data Set for Download or QSAR

Found 18 hits for UniProtKB: P32211   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CHRM4


(MOUSE)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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5.60n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Mol Pharmacol 38: 267-73 (1990)


BindingDB Entry DOI: 10.7270/Q2NP22X3
More data for this
Ligand-Target Pair
CHRM4


(MOUSE)
BDBM50071173
PNG
((3R,4R,4aS,8aR)-4-[(E)-2-((2S,6S)-1,6-Dimethyl-pip...)
Show SMILES C[C@H]1OC(=O)C2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)C12
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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60n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Mol Pharmacol 38: 267-73 (1990)


BindingDB Entry DOI: 10.7270/Q2NP22X3
More data for this
Ligand-Target Pair
CHRM4


(MOUSE)
BDBM81799
PNG
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)
Show SMILES O[Si](CCCN1CCCCC1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2
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100n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Mol Pharmacol 38: 267-73 (1990)


BindingDB Entry DOI: 10.7270/Q2NP22X3
More data for this
Ligand-Target Pair
CHRM4


(MOUSE)
BDBM50064176
PNG
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)
Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Mol Pharmacol 38: 267-73 (1990)


BindingDB Entry DOI: 10.7270/Q2NP22X3
More data for this
Ligand-Target Pair
CHRM4


(MOUSE)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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400n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Mol Pharmacol 38: 267-73 (1990)


BindingDB Entry DOI: 10.7270/Q2NP22X3
More data for this
Ligand-Target Pair
CHRM4


(MOUSE)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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1.60E+3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Mol Pharmacol 38: 267-73 (1990)


BindingDB Entry DOI: 10.7270/Q2NP22X3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50020529
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(3-phenyl-propo...)
Show SMILES Cn1cc[n+](COCCCc2ccccc2)c1CN=O
Show InChI InChI=1S/C15H20N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3/q+1
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n/an/a 2.20E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards muscarinic receptor in mouse brain membrane


J Med Chem 32: 493-503 (1989)


Article DOI: 10.1021/jm00122a034
BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50020515
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(naphthalen-1-y...)
Show SMILES Cn1cc[n+](COCc2cccc3ccccc23)c1CN=O
Show InChI InChI=1S/C17H18N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-10H,11-13H2,1H3/q+1
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n/an/a 3.50E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards muscarinic receptor in mouse brain membrane


J Med Chem 32: 493-503 (1989)


Article DOI: 10.1021/jm00122a034
BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50020521
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...)
Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1
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n/an/a 8.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards muscarinic acetylcholine receptor in mouse brain membrane


J Med Chem 32: 493-503 (1989)


Article DOI: 10.1021/jm00122a034
BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50020522
PNG
(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1
Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1
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n/an/a 1.60E+5n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of phosphonylation of Eel acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


Article DOI: 10.1021/jm00122a034
BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50011780
PNG
(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Show SMILES C[n+]1ccccc1CN=O
Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1
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n/an/a 1.70E+5n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards muscarinic receptor in mouse brain membrane


J Med Chem 32: 493-503 (1989)


Article DOI: 10.1021/jm00122a034
BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50020514
PNG
(2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3...)
Show SMILES COC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C7H12N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-4H,5-6H2,1-2H3/q+1
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n/an/a 1.00E+6n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of phosphonylation of Eel acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


Article DOI: 10.1021/jm00122a034
BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50028054
PNG
(Allyl-(1-phenyl-cyclohexyl)-amine | CHEMBL281855)
Show SMILES C=CCNC1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C15H21N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h2-3,5-6,9-10,16H,1,4,7-8,11-13H2
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n/an/an/a 7.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


Article DOI: 10.1021/jm00376a006
BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50028052
PNG
(Allyl-ethyl-(1-phenyl-cyclohexyl)-amine | CHEMBL23...)
Show SMILES CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3
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n/an/an/a 1.40E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


Article DOI: 10.1021/jm00376a006
BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50028051
PNG
(CHEMBL23626 | Diallyl-(1-phenyl-cyclohexyl)-amine)
Show SMILES C=CCN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H25N/c1-3-15-19(16-4-2)18(13-9-6-10-14-18)17-11-7-5-8-12-17/h3-5,7-8,11-12H,1-2,6,9-10,13-16H2
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n/an/an/a 2.50E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


Article DOI: 10.1021/jm00376a006
BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM50028053
PNG
(Allyl-methyl-(1-phenyl-cyclohexyl)-amine | CHEMBL2...)
Show SMILES CN(CC=C)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-3-14-17(2)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h3-4,6-7,10-11H,1,5,8-9,12-14H2,2H3
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n/an/an/a 1.50E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 27: 1267-71 (1984)


Article DOI: 10.1021/jm00376a006
BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus-MOUSE)
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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n/an/an/a 9.10E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes


J Med Chem 27: 1267-71 (1984)


Article DOI: 10.1021/jm00376a006
BindingDB Entry DOI: 10.7270/Q22Z14J3
More data for this
Ligand-Target Pair
CHRM4


(MOUSE)
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 11n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency of the compound assessed to inhibit cAMP levels in N1E-115 neuroblastoma cells, for blocking oxotremorine-M in functional assay for Muscarini...


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


Article DOI: 10.1016/S0960-894X(00)80534-X
BindingDB Entry DOI: 10.7270/Q22R3RKP
More data for this
Ligand-Target Pair