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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'vogel' and Initial = 'z'   
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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061108
PNG
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3
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0.100n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061108
PNG
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3
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0.200n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061111
PNG
((R)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,8...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |t:15|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20,26H,7-13H2,1-6H3/t19?,20-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061111
PNG
((R)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,8...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |t:15|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20,26H,7-13H2,1-6H3/t19?,20-/m1/s1
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0.241n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021325
PNG
(4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50003571
PNG
((-)-3-Hydroxy-N-methylmorphinan hydrochloride (lev...)
Show SMILES CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50003571
PNG
((-)-3-Hydroxy-N-methylmorphinan hydrochloride (lev...)
Show SMILES CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021325
PNG
(4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1
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0.630n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.16n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.29n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
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1.5n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061108
PNG
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3
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1.80n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
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2n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061111
PNG
((R)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,8...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |t:15|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20,26H,7-13H2,1-6H3/t19?,20-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
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3.30n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50016847
PNG
(CHEMBL337041 | Cyprodime)
Show SMILES COc1cccc2CC3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |TLB:5:6:22:9.15.14,2:25:22:9.15.14|
Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19?,21-,22-/m1/s1
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4.59n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061114
PNG
(3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(cc-23)C(O)=O)c1
Show InChI InChI=1S/C25H32O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10-11,13-15,26H,6-9,12H2,1-5H3,(H,27,28)
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4.80n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061114
PNG
(3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(cc-23)C(O)=O)c1
Show InChI InChI=1S/C25H32O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10-11,13-15,26H,6-9,12H2,1-5H3,(H,27,28)
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6.10n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061114
PNG
(3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(cc-23)C(O)=O)c1
Show InChI InChI=1S/C25H32O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10-11,13-15,26H,6-9,12H2,1-5H3,(H,27,28)
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6.10n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056492
PNG
((5Z,8Z,11Z,14Z)-2,2-Dimethyl-icosa-5,8,11,14-tetra...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)(C)C(=O)NCCC
Show InChI InChI=1S/C25H43NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(3,4)24(27)26-23-6-2/h10-11,13-14,16-17,19-20H,5-9,12,15,18,21-23H2,1-4H3,(H,26,27)/b11-10-,14-13-,17-16-,20-19-
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6.90n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056462
PNG
((5Z,8Z,11Z,14Z)-2,2-Dimethyl-icosa-5,8,11,14-tetra...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)(C)C(=O)NC(C)C
Show InChI InChI=1S/C25H43NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(4,5)24(27)26-23(2)3/h10-11,13-14,16-17,19-20,23H,6-9,12,15,18,21-22H2,1-5H3,(H,26,27)/b11-10-,14-13-,17-16-,20-19-
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7.20n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50016847
PNG
(CHEMBL337041 | Cyprodime)
Show SMILES COc1cccc2CC3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |TLB:5:6:22:9.15.14,2:25:22:9.15.14|
Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19?,21-,22-/m1/s1
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7.23n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056468
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid pr...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCC
Show InChI InChI=1S/C23H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
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7.30n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Binding affinity against the cannabinoid receptor


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50018708
PNG
(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26-,28+/m1/s1
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7.34n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056472
PNG
((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCC
Show InChI InChI=1S/C24H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3)24(26)25-22-5-2/h9-10,12-13,15-16,18-19,23H,4-8,11,14,17,20-22H2,1-3H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-
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7.40n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061109
PNG
((R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,...)
Show SMILES CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:14|
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3/t16?,17-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056469
PNG
((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NC(C)C
Show InChI InChI=1S/C24H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(4)24(26)25-22(2)3/h9-10,12-13,15-16,18-19,22-23H,5-8,11,14,17,20-21H2,1-4H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-
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8.40n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50018708
PNG
(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26-,28+/m1/s1
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8.71n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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10.8n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056468
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid pr...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCC
Show InChI InChI=1S/C23H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
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12n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056463
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (3...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCO
Show InChI InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25/h6-7,9-10,12-13,15-16,25H,2-5,8,11,14,17-22H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-
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13n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Binding affinity against the cannabinoid receptor


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056473
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid is...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC(C)C
Show InChI InChI=1S/C23H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22(2)3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
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14n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061110
PNG
(1-Acetoxy-3-(1,1-dimethyl-heptyl)-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC(C)=O)c-2c(OC(C)(C)c3ccc(cc-23)C(O)=O)c1
Show InChI InChI=1S/C27H34O5/c1-7-8-9-10-13-26(3,4)19-15-22(31-17(2)28)24-20-14-18(25(29)30)11-12-21(20)27(5,6)32-23(24)16-19/h11-12,14-16H,7-10,13H2,1-6H3,(H,29,30)
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17.3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061116
PNG
(3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc21
Show InChI InChI=1S/C23H28O3/c1-5-6-7-8-11-23(3,4)16-13-19(24)21-18-12-15(2)9-10-17(18)22(25)26-20(21)14-16/h9-10,12-14,24H,5-8,11H2,1-4H3
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17.3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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25.7n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061109
PNG
((R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,...)
Show SMILES CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:14|
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3/t16?,17-/m1/s1
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25.8n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056464
PNG
((5Z,8Z,11Z,14Z)-2,2-Dimethyl-icosa-5,8,11,14-tetra...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)(C)C(=O)NCCO
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(27)25-21-22-26/h8-9,11-12,14-15,17-18,26H,4-7,10,13,16,19-22H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-
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26n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061112
PNG
(9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6H-benzo[c]c...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C21H26O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8-12,22-23H,4-7,13H2,1-3H3
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26.6n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056467
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid bu...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCC
Show InChI InChI=1S/C24H41NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-23H2,1-2H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-
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30n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Binding affinity against the cannabinoid receptor


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056463
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (3...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCO
Show InChI InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25/h6-7,9-10,12-13,15-16,25H,2-5,8,11,14,17-22H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-
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30n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50454794
PNG
(CHEMBL2110161)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)(C)C(=O)N[C@H](C)CO |r|
Show InChI InChI=1S/C25H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(3,4)24(28)26-23(2)22-27/h9-10,12-13,15-16,18-19,23,27H,5-8,11,14,17,20-22H2,1-4H3,(H,26,28)/b10-9-,13-12-,16-15-,19-18-/t23-/m1/s1
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31n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
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 |r,t:11|
Show InChI InChI=1/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-/s2
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32n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061118
PNG
((R)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(=CC[C@H]3C(C)(C)Oc2c1)C(O)=O |c:16|
Show InChI InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18?,19-/m1/s1
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32.3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056460
PNG
((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCO
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-20-21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-
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33n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061109
PNG
((R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,...)
Show SMILES CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:14|
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3/t16?,17-/m1/s1
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33n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061116
PNG
(3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc21
Show InChI InChI=1S/C23H28O3/c1-5-6-7-8-11-23(3,4)16-13-19(24)21-18-12-15(2)9-10-17(18)22(25)26-20(21)14-16/h9-10,12-14,24H,5-8,11H2,1-4H3
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33n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85675
PNG
(Anandamide + PMSF | CHEMBL321585)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCO
Show InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
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34n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined against rat brain Cannabinoid receptor 1


J Med Chem 40: 659-67 (1997)


Article DOI: 10.1021/jm960752x
BindingDB Entry DOI: 10.7270/Q2JS9R3C
More data for this
Ligand-Target Pair
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