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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'moon' and Initial = 'mw'   
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


(RAT)
BDBM50229368
PNG
(CHEMBL77793)
Show SMILES Cc1nccn1CC#CCN1CCCC1=O
Show InChI InChI=1S/C12H15N3O/c1-11-13-6-10-14(11)7-2-3-8-15-9-4-5-12(15)16/h6,10H,4-5,7-9H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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0.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004734
PNG
(CHEMBL310852 | N-Methyl-N-(1-methyl-4-pyrrolidin-1...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(C)=O
Show InChI InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
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0.860n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50009300
PNG
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES CN(CC#CCN1CCCC1)C(C)=O
Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
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0.920n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004726
PNG
(1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O
Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50005856
PNG
(1-(4-Dimethylamino-but-2-ynyl)-pyrrolidin-2-one | ...)
Show SMILES CN(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C10H16N2O/c1-11(2)7-3-4-8-12-9-5-6-10(12)13/h5-9H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229392
PNG
(CHEMBL306366)
Show SMILES O=C1CCCN1CC#CCn1ccnc1
Show InChI InChI=1S/C11H13N3O/c15-11-4-3-8-14(11)7-2-1-6-13-9-5-12-10-13/h5,9-10H,3-4,6-8H2
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1.30n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229345
PNG
(CHEMBL76067)
Show SMILES COC(=O)N(C)C(C)C#CCN1CCCC1
Show InChI InChI=1S/C12H20N2O2/c1-11(13(2)12(15)16-3)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228614
PNG
(CHEMBL51405)
Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1
Show InChI InChI=1S/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229396
PNG
(CHEMBL306376)
Show SMILES CC(C#CCn1ccnc1C)N(C)C(C)=O
Show InChI InChI=1S/C12H17N3O/c1-10(14(4)12(3)16)6-5-8-15-9-7-13-11(15)2/h7,9-10H,8H2,1-4H3
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1.60n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229359
PNG
(CHEMBL75111)
Show SMILES CC1CCC(=O)N1CC#CCn1cncc1C
Show InChI InChI=1S/C13H17N3O/c1-11-5-6-13(17)16(11)8-4-3-7-15-10-14-9-12(15)2/h9-11H,5-8H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229375
PNG
(CHEMBL77636)
Show SMILES CN(CC#CCn1ccnc1)C(C)=O
Show InChI InChI=1S/C10H13N3O/c1-10(14)12(2)6-3-4-7-13-8-5-11-9-13/h5,8-9H,6-7H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229402
PNG
(CHEMBL308605)
Show SMILES CN1CCN(CC#CCn2ccnc2)C1=O
Show InChI InChI=1S/C11H14N4O/c1-13-8-9-15(11(13)16)6-3-2-5-14-7-4-12-10-14/h4,7,10H,5-6,8-9H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001974
PNG
(6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[3,2,1...)
Show SMILES CCCN(CCC)C1CN2C(=O)CCc3cccc(C1)c23
Show InChI InChI=1S/C18H26N2O/c1-3-10-19(11-4-2)16-12-15-7-5-6-14-8-9-17(21)20(13-16)18(14)15/h5-7,16H,3-4,8-13H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056446
PNG
((R)-5-Propylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C13H17N3O/c1-2-6-14-10-7-9-4-3-5-11-12(9)16(8-10)13(17)15-11/h3-5,10,14H,2,6-8H2,1H3,(H,15,17)/t10-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229363
PNG
(CHEMBL73257)
Show SMILES COC(=O)N(C)CC#CCN1CCCC1
Show InChI InChI=1S/C11H18N2O2/c1-12(11(14)15-2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004733
PNG
(1-Methyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H19N3O/c1-13-10-11-15(12(13)16)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
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2.70n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001969
PNG
(6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[3,2,1...)
Show SMILES CCCN(CCC)C1CN2C(=O)NCc3cccc(C1)c23
Show InChI InChI=1S/C17H25N3O/c1-3-8-19(9-4-2)15-10-13-6-5-7-14-11-18-17(21)20(12-15)16(13)14/h5-7,15H,3-4,8-12H2,1-2H3,(H,18,21)
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3.20n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229349
PNG
(CHEMBL306825)
Show SMILES Cc1cncn1CC#CCN1CCCC1=O
Show InChI InChI=1S/C12H15N3O/c1-11-9-13-10-15(11)7-3-2-6-14-8-4-5-12(14)16/h9-10H,4-8H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229410
PNG
(CHEMBL75805)
Show SMILES CN(CC#CCn1cncc1C)C(C)=O
Show InChI InChI=1S/C11H15N3O/c1-10-8-12-9-14(10)7-5-4-6-13(3)11(2)15/h8-9H,6-7H2,1-3H3
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3.60n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229369
PNG
(CHEMBL74917)
Show SMILES CN(C)C(=O)N(C)CC#CCN1CCCC1
Show InChI InChI=1S/C12H21N3O/c1-13(2)12(16)14(3)8-4-5-9-15-10-6-7-11-15/h6-11H2,1-3H3
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3.60n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229368
PNG
(CHEMBL77793)
Show SMILES Cc1nccn1CC#CCN1CCCC1=O
Show InChI InChI=1S/C12H15N3O/c1-11-13-6-10-14(11)7-2-3-8-15-9-4-5-12(15)16/h6,10H,4-5,7-9H2,1H3
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PubMed
3.80n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]QNB radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50009291
PNG
(CHEMBL75358 | N-(4-Dimethylamino-but-2-ynyl)-N-met...)
Show SMILES CN(C)CC#CCN(C)C(C)=O
Show InChI InChI=1S/C9H16N2O/c1-9(12)11(4)8-6-5-7-10(2)3/h7-8H2,1-4H3
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4.20n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229399
PNG
(CHEMBL421127)
Show SMILES CN(C)CC#CCN1CCN(C)C1=O
Show InChI InChI=1S/C10H17N3O/c1-11(2)6-4-5-7-13-9-8-12(3)10(13)14/h6-9H2,1-3H3
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4.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229388
PNG
(CHEMBL307612)
Show SMILES CC(C#CCn1cncc1C)N1CCCC1=O
Show InChI InChI=1S/C13H17N3O/c1-11(16-8-4-6-13(16)17)5-3-7-15-10-14-9-12(15)2/h9-11H,4,6-8H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229391
PNG
(CHEMBL75295)
Show SMILES O=C1OCCN1CC#CCn1ccnc1
Show InChI InChI=1S/C10H11N3O2/c14-10-13(7-8-15-10)5-2-1-4-12-6-3-11-9-12/h3,6,9H,4-5,7-8H2
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5.70n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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6.60n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229371
PNG
(CHEMBL307512)
Show SMILES Cn1ccn(CC#CCN2CCCC2)c1=O
Show InChI InChI=1S/C12H17N3O/c1-13-10-11-15(12(13)16)9-5-4-8-14-6-2-3-7-14/h10-11H,2-3,6-9H2,1H3
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7.10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228608
PNG
(CHEMBL48269)
Show SMILES CC1CCC(=O)N1CC#CCN(C)C
Show InChI InChI=1S/C11H18N2O/c1-10-6-7-11(14)13(10)9-5-4-8-12(2)3/h10H,6-9H2,1-3H3
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7.10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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7.20n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229352
PNG
(CHEMBL73848)
Show SMILES CN1CCN(CC#CCn2cncc2C)C1=O
Show InChI InChI=1S/C12H16N4O/c1-11-9-13-10-16(11)6-4-3-5-15-8-7-14(2)12(15)17/h9-10H,5-8H2,1-2H3
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8.60n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229348
PNG
(CHEMBL74792)
Show SMILES O=C1OCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C11H16N2O2/c14-11-13(9-10-15-11)8-4-3-7-12-5-1-2-6-12/h1-2,5-10H2
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8.90n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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9n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229405
PNG
(CHEMBL307600)
Show SMILES COC(=O)N(C)C(C)C#CCn1cncc1C
Show InChI InChI=1S/C12H17N3O2/c1-10(14(3)12(16)17-4)6-5-7-15-9-13-8-11(15)2/h8-10H,7H2,1-4H3
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9.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229355
PNG
(CHEMBL73404)
Show SMILES COC(=O)N(C)CC#CCn1ccnc1
Show InChI InChI=1S/C10H13N3O2/c1-12(10(14)15-2)6-3-4-7-13-8-5-11-9-13/h5,8-9H,6-7H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229358
PNG
(CHEMBL77432)
Show SMILES Cc1cn(CC#CCN2CCCC2=O)cn1
Show InChI InChI=1S/C12H15N3O/c1-11-9-14(10-13-11)6-2-3-7-15-8-4-5-12(15)16/h9-10H,4-8H2,1H3
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10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229351
PNG
(CHEMBL78262)
Show SMILES CC(C#CCn1cncc1C)N(C)C(C)=O
Show InChI InChI=1S/C12H17N3O/c1-10(14(4)12(3)16)6-5-7-15-9-13-8-11(15)2/h8-10H,7H2,1-4H3
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10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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10n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229359
PNG
(CHEMBL75111)
Show SMILES CC1CCC(=O)N1CC#CCn1cncc1C
Show InChI InChI=1S/C13H17N3O/c1-11-5-6-13(17)16(11)8-4-3-7-15-10-14-9-12(15)2/h9-11H,5-8H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]QNB radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229407
PNG
(CHEMBL77160)
Show SMILES CC(C#CCn1ccnc1)N(C)C(C)=O
Show InChI InChI=1S/C11H15N3O/c1-10(13(3)11(2)15)5-4-7-14-8-6-12-9-14/h6,8-10H,7H2,1-3H3
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12n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368591
PNG
(CHEMBL1794795)
Show SMILES CCCN(CCC)C1CN2C(=O)COc3cccc(C1)c23
Show InChI InChI=1S/C17H24N2O2/c1-3-8-18(9-4-2)14-10-13-6-5-7-15-17(13)19(11-14)16(20)12-21-15/h5-7,14H,3-4,8-12H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056444
PNG
((R)-5-Dimethylamino-5,6-dihydro-1H,4H-imidazo[4,5,...)
Show SMILES CN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C12H15N3O/c1-14(2)9-6-8-4-3-5-10-11(8)15(7-9)12(16)13-10/h3-5,9H,6-7H2,1-2H3,(H,13,16)/t9-/m1/s1
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12n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229365
PNG
(CHEMBL309080)
Show SMILES COC(=O)N(C)C(C)C#CCn1ccnc1
Show InChI InChI=1S/C11H15N3O2/c1-10(13(2)11(15)16-3)5-4-7-14-8-6-12-9-14/h6,8-10H,7H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229393
PNG
(CHEMBL74426)
Show SMILES CC(C#CCN1CCCC1)N1CCN(C)C1=O
Show InChI InChI=1S/C13H21N3O/c1-12(16-11-10-14(2)13(16)17)6-5-9-15-7-3-4-8-15/h12H,3-4,7-11H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)


J Med Chem 34: 2314-27 (1991)


Article DOI: 10.1021/jm00112a002
More data for this
Ligand-Target Pair
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