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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'alexander' and Initial = 'ej'   
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226932
PNG
(CHEMBL559829)
Show SMILES Cl.Cc1c(CC2=NCCN2)ccc2ccccc12
Show InChI InChI=1S/C15H16N2.ClH/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12;/h2-7H,8-10H2,1H3,(H,16,17);1H
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6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226924
PNG
(CHEMBL545647)
Show SMILES Cl.CC1=C(CC2=NCCN2)Cc2ccccc12
Show InChI InChI=1S/C14H16N2.ClH/c1-10-12(9-14-15-6-7-16-14)8-11-4-2-3-5-13(10)11;/h2-5H,6-9H2,1H3,(H,15,16);1H
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6.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-clonidine from alpha-1 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226929
PNG
(CHEMBL545646)
Show SMILES Cl.CC1=C(CC2=NCCN2)CCc2ccccc12
Show InChI InChI=1S/C15H18N2.ClH/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12;/h2-5H,6-10H2,1H3,(H,16,17);1H
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226929
PNG
(CHEMBL545646)
Show SMILES Cl.CC1=C(CC2=NCCN2)CCc2ccccc12
Show InChI InChI=1S/C15H18N2.ClH/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12;/h2-5H,6-10H2,1H3,(H,16,17);1H
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50454831
PNG
(NAPAMEZOLE | Napamezole)
Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1
Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50454831
PNG
(NAPAMEZOLE | Napamezole)
Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1
Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226928
PNG
(CHEMBL553439)
Show SMILES Cl.CC(C1=NCCN1)C1=Cc2ccccc2CC1
Show InChI InChI=1S/C15H18N2.ClH/c1-11(15-16-8-9-17-15)13-7-6-12-4-2-3-5-14(12)10-13;/h2-5,10-11H,6-9H2,1H3,(H,16,17);1H
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50057120
PNG
(2-Naphthalen-2-ylmethyl-4,5-dihydro-1H-imidazole |...)
Show SMILES C(C1=NCCN1)c1ccc2ccccc2c1
Show InChI InChI=1S/C14H14N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-6,9H,7-8,10H2,(H,15,16)
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222218
PNG
(CHEBI:51137 | MIANSERIN | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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76n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226927
PNG
(CHEMBL544701)
Show SMILES Cl.C(C1=Cc2ccccc2C1)C1=NCCN1
Show InChI InChI=1S/C13H14N2.ClH/c1-2-4-12-8-10(7-11(12)3-1)9-13-14-5-6-15-13;/h1-4,7H,5-6,8-9H2,(H,14,15);1H
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76n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50454831
PNG
(NAPAMEZOLE | Napamezole)
Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1
Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)
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78n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from alpha-1 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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78n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226930
PNG
(CHEMBL35345)
Show SMILES CC1=C(Cc2ncc[nH]2)CCc2ccccc12
Show InChI InChI=1S/C15H16N2/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)
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88n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226926
PNG
(CHEMBL544706)
Show SMILES Cl.C[C@H]1[C@@H](CC2=NCCN2)CCc2ccccc12
Show InChI InChI=1S/C15H20N2.ClH/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12;/h2-5,11,13H,6-10H2,1H3,(H,16,17);1H/t11-,13+;/m0./s1
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135n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226929
PNG
(CHEMBL545646)
Show SMILES Cl.CC1=C(CC2=NCCN2)CCc2ccccc12
Show InChI InChI=1S/C15H18N2.ClH/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12;/h2-5H,6-10H2,1H3,(H,16,17);1H
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148n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from alpha-1 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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261n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from alpha-1 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226921
PNG
(CHEMBL544704)
Show SMILES Cl.CC1=C(CC2=NCCCN2)CCc2ccccc12
Show InChI InChI=1S/C16H20N2.ClH/c1-12-14(11-16-17-9-4-10-18-16)8-7-13-5-2-3-6-15(12)13;/h2-3,5-6H,4,7-11H2,1H3,(H,17,18);1H
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334n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226923
PNG
(CHEMBL544705)
Show SMILES Cl.C[C@@H]1[C@@H](CC2=NCCN2)CCc2ccccc12
Show InChI InChI=1S/C15H20N2.ClH/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12;/h2-5,11,13H,6-10H2,1H3,(H,16,17);1H/t11-,13-;/m1./s1
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401n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226925
PNG
(CHEMBL553103)
Show SMILES Cl.CN1CCN=C1CC1=C(C)c2ccccc2CC1
Show InChI InChI=1S/C16H20N2.ClH/c1-12-14(11-16-17-9-10-18(16)2)8-7-13-5-3-4-6-15(12)13;/h3-6H,7-11H2,1-2H3;1H
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436n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226931
PNG
(CHEMBL553368)
Show SMILES Cl.CCN1CCN=C1CC1=C(C)c2ccccc2CC1
Show InChI InChI=1S/C17H22N2.ClH/c1-3-19-11-10-18-17(19)12-15-9-8-14-6-4-5-7-16(14)13(15)2;/h4-7H,3,8-12H2,1-2H3;1H
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548n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226922
PNG
(CHEMBL543535)
Show SMILES Cl.CC1CN=C(CC2=C(C)c3ccccc3CC2)N1
Show InChI InChI=1S/C16H20N2.ClH/c1-11-10-17-16(18-11)9-14-8-7-13-5-3-4-6-15(13)12(14)2;/h3-6,11H,7-10H2,1-2H3,(H,17,18);1H
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>800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


Article DOI: 10.1021/jm00391a034
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032599
PNG
((4-Methoxy-naphthalen-1-yl)-[1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O3/c1-30-25-11-10-22(19-6-2-3-8-21(19)25)26(29)23-18-28(24-9-5-4-7-20(23)24)13-12-27-14-16-31-17-15-27/h2-11,18H,12-17H2,1H3
PDB

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n/an/a 1.40n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032565
PNG
((4-Methyl-naphthalen-1-yl)-[1-(2-morpholin-4-yl-et...)
Show SMILES Cc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19-10-11-23(21-7-3-2-6-20(19)21)26(29)24-18-28(25-9-5-4-8-22(24)25)13-12-27-14-16-30-17-15-27/h2-11,18H,12-17H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032584
PNG
((4-Hydroxy-naphthalen-1-yl)-[1-(2-morpholin-4-yl-e...)
Show SMILES Oc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H24N2O3/c28-24-10-9-21(18-5-1-2-7-20(18)24)25(29)22-17-27(23-8-4-3-6-19(22)23)12-11-26-13-15-30-16-14-26/h1-10,17,28H,11-16H2
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n/an/a 3.40n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032615
PNG
(CHEMBL82361 | [6-Methyl-1-(2-morpholin-4-yl-ethyl)...)
Show SMILES Cc1ccc2c(cn(CCN3CCOCC3)c2c1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19-9-10-22-24(26(29)23-8-4-6-20-5-2-3-7-21(20)23)18-28(25(22)17-19)12-11-27-13-15-30-16-14-27/h2-10,17-18H,11-16H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032575
PNG
(CHEMBL309763 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2ccc(C)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C27H28N2O2/c1-19-11-12-23(22-8-4-3-7-21(19)22)27(30)26-20(2)29(25-10-6-5-9-24(25)26)14-13-28-15-17-31-18-16-28/h3-12H,13-18H2,1-2H3
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n/an/a 5.90n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032583
PNG
((4-Bromo-naphthalen-1-yl)-[2-methyl-1-(2-morpholin...)
Show SMILES Cc1c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H25BrN2O2/c1-18-25(26(30)21-10-11-23(27)20-7-3-2-6-19(20)21)22-8-4-5-9-24(22)29(18)13-12-28-14-16-31-17-15-28/h2-11H,12-17H2,1H3
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n/an/a 6.90n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50009854
PNG
(CHEMBL13078 | [1-(2-Morpholin-4-yl-ethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2
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n/an/a 7.80n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032616
PNG
(CHEMBL78940 | [6-Bromo-2-methyl-1-(2-morpholin-4-y...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccc(Br)cc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H25BrN2O2/c1-18-25(26(30)22-8-4-6-19-5-2-3-7-21(19)22)23-10-9-20(27)17-24(23)29(18)12-11-28-13-15-31-16-14-28/h2-10,17H,11-16H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032621
PNG
(CHEMBL78713 | [2-Chloro-1-(2-morpholin-4-yl-ethyl)...)
Show SMILES Clc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C25H23ClN2O2/c26-25-23(24(29)20-10-5-7-18-6-1-2-8-19(18)20)21-9-3-4-11-22(21)28(25)13-12-27-14-16-30-17-15-27/h1-11H,12-17H2
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n/an/a 10n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032589
PNG
(CHEMBL78415 | [7-Methoxy-2-methyl-1-(2-morpholin-4...)
Show SMILES COc1cccc2c(C(=O)c3cccc4ccccc34)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H28N2O3/c1-19-25(27(30)22-10-5-8-20-7-3-4-9-21(20)22)23-11-6-12-24(31-2)26(23)29(19)14-13-28-15-17-32-18-16-28/h3-12H,13-18H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032560
PNG
(CHEMBL78994 | [2,6-Dimethyl-1-(2-morpholin-4-yl-et...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccc(C)cc2n1CCN1CCOCC1
Show InChI InChI=1S/C27H28N2O2/c1-19-10-11-24-25(18-19)29(13-12-28-14-16-31-17-15-28)20(2)26(24)27(30)23-9-5-7-21-6-3-4-8-22(21)23/h3-11,18H,12-17H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032561
PNG
(CHEMBL104841 | [2-Methyl-1-(1-methyl-2-morpholin-4...)
Show SMILES CC(CN1CCOCC1)n1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H28N2O2/c1-19(18-28-14-16-31-17-15-28)29-20(2)26(24-11-5-6-13-25(24)29)27(30)23-12-7-9-21-8-3-4-10-22(21)23/h3-13,19H,14-18H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032555
PNG
(4-[2-Methyl-1-(2-morpholin-4-yl-ethyl)-1H-indole-3...)
Show SMILES Cc1c(C(=O)c2ccc(C#N)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C27H25N3O2/c1-19-26(27(31)23-11-10-20(18-28)21-6-2-3-7-22(21)23)24-8-4-5-9-25(24)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032567
PNG
(Benzofuran-7-yl-[1-(2-morpholin-4-yl-ethyl)-1H-ind...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccoc12
Show InChI InChI=1S/C23H22N2O3/c26-22(19-6-3-4-17-8-13-28-23(17)19)20-16-25(21-7-2-1-5-18(20)21)10-9-24-11-14-27-15-12-24/h1-8,13,16H,9-12,14-15H2
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n/an/a 18n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50009864
PNG
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032562
PNG
(Benzofuran-4-yl-[1-(2-morpholin-4-yl-ethyl)-1H-ind...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2occc12
Show InChI InChI=1S/C23H22N2O3/c26-23(19-5-3-7-22-18(19)8-13-28-22)20-16-25(21-6-2-1-4-17(20)21)10-9-24-11-14-27-15-12-24/h1-8,13,16H,9-12,14-15H2
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n/an/a 24n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032613
PNG
(CHEMBL78308 | [5-Fluoro-1-(2-morpholin-4-yl-ethyl)...)
Show SMILES Fc1ccc2n(CCN3CCOCC3)cc(C(=O)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C25H23FN2O2/c26-19-8-9-24-22(16-19)23(17-28(24)11-10-27-12-14-30-15-13-27)25(29)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,16-17H,10-15H2
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n/an/a 35n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032596
PNG
(CHEMBL311645 | [2-Methyl-1-(2-piperidin-1-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCCCC1
Show InChI InChI=1S/C27H28N2O/c1-20-26(27(30)23-14-9-11-21-10-3-4-12-22(21)23)24-13-5-6-15-25(24)29(20)19-18-28-16-7-2-8-17-28/h3-6,9-15H,2,7-8,16-19H2,1H3
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n/an/a 37n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032629
PNG
(CHEMBL311560 | [1-(2-Morpholin-4-yl-ethyl)-1H-indo...)
Show SMILES O=C(C1CCCc2ccccc12)c1cn(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H28N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-4,6,8-9,11,18,22H,5,7,10,12-17H2
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n/an/a 38n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032604
PNG
(CHEMBL323501 | [1-(3-Morpholin-4-yl-propyl)-1H-ind...)
Show SMILES O=C(c1cn(CCCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O2/c29-26(23-11-5-8-20-7-1-2-9-21(20)23)24-19-28(25-12-4-3-10-22(24)25)14-6-13-27-15-17-30-18-16-27/h1-5,7-12,19H,6,13-18H2
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n/an/a 43n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032582
PNG
((4-Methoxy-naphthalen-1-yl)-[2-methyl-1-(2-morphol...)
Show SMILES COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H28N2O3/c1-19-26(27(30)22-11-12-25(31-2)21-8-4-3-7-20(21)22)23-9-5-6-10-24(23)29(19)14-13-28-15-17-32-18-16-28/h3-12H,13-18H2,1-2H3
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n/an/a 55n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032544
PNG
(CHEMBL79204 | {2-Methyl-1-[2-(2-methyl-morpholin-4...)
Show SMILES CC1CN(CCn2c(C)c(C(=O)c3cccc4ccccc34)c3ccccc23)CCO1
Show InChI InChI=1S/C27H28N2O2/c1-19-18-28(16-17-31-19)14-15-29-20(2)26(24-11-5-6-13-25(24)29)27(30)23-12-7-9-21-8-3-4-10-22(21)23/h3-13,19H,14-18H2,1-2H3
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n/an/a 59n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032622
PNG
(CHEMBL307073 | [1-(2-Morpholin-4-yl-ethyl)-1H-indo...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H24N2O2/c28-25(21-10-9-19-5-1-2-6-20(19)17-21)23-18-27(24-8-4-3-7-22(23)24)12-11-26-13-15-29-16-14-26/h1-10,17-18H,11-16H2
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n/an/a 59n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032568
PNG
(CHEMBL78627 | [5-Hydroxy-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)cc(C(=O)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C25H24N2O3/c28-19-8-9-24-22(16-19)23(17-27(24)11-10-26-12-14-30-15-13-26)25(29)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,16-17,28H,10-15H2
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n/an/a 70n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032637
PNG
(Benzofuran-7-yl-[2-methyl-1-(2-morpholin-4-yl-ethy...)
Show SMILES Cc1c(C(=O)c2cccc3ccoc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C24H24N2O3/c1-17-22(23(27)20-7-4-5-18-9-14-29-24(18)20)19-6-2-3-8-21(19)26(17)11-10-25-12-15-28-16-13-25/h2-9,14H,10-13,15-16H2,1H3
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n/an/a 71n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50032594
PNG
(Benzofuran-3-yl-[2-methyl-1-(2-morpholin-4-yl-ethy...)
Show SMILES Cc1c(C(=O)c2coc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C24H24N2O3/c1-17-23(24(27)20-16-29-22-9-5-3-6-18(20)22)19-7-2-4-8-21(19)26(17)11-10-25-12-14-28-15-13-25/h2-9,16H,10-15H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
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