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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50036447   
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))
BDBM50053265
PNG
((6aR,9R,10aR)-3-((Z)-Hept-1-enyl)-9-hydroxymethyl-...)
Show SMILES CCCCC\C=C/c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O3/c1-4-5-6-7-8-9-16-13-20(25)22-18-12-17(15-24)10-11-19(18)23(2,3)26-21(22)14-16/h8-9,13-14,17-19,24-25H,4-7,10-12,15H2,1-3H3/b9-8-/t17-,18-,19-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 1 enriched rat brain microsome prepara...


J Med Chem 39: 3790-6 (1996)


Article DOI: 10.1021/jm950934b
BindingDB Entry DOI: 10.7270/Q2TT4RM1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50053266
PNG
((6aR,9R,10aR)-3-((E)-Hept-1-enyl)-9-hydroxymethyl-...)
Show SMILES CCCCC\C=C\c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O3/c1-4-5-6-7-8-9-16-13-20(25)22-18-12-17(15-24)10-11-19(18)23(2,3)26-21(22)14-16/h8-9,13-14,17-19,24-25H,4-7,10-12,15H2,1-3H3/b9-8+/t17-,18-,19-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 1 enriched rat brain microsome prepara...


J Med Chem 39: 3790-6 (1996)


Article DOI: 10.1021/jm950934b
BindingDB Entry DOI: 10.7270/Q2TT4RM1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50053266
PNG
((6aR,9R,10aR)-3-((E)-Hept-1-enyl)-9-hydroxymethyl-...)
Show SMILES CCCCC\C=C\c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O3/c1-4-5-6-7-8-9-16-13-20(25)22-18-12-17(15-24)10-11-19(18)23(2,3)26-21(22)14-16/h8-9,13-14,17-19,24-25H,4-7,10-12,15H2,1-3H3/b9-8+/t17-,18-,19-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 2 enriched mouse spleen preparation.


J Med Chem 39: 3790-6 (1996)


Article DOI: 10.1021/jm950934b
BindingDB Entry DOI: 10.7270/Q2TT4RM1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50053267
PNG
((6aR,9R,10aR)-3-Hept-1-ynyl-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCC#Cc1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H32O3/c1-4-5-6-7-8-9-16-13-20(25)22-18-12-17(15-24)10-11-19(18)23(2,3)26-21(22)14-16/h13-14,17-19,24-25H,4-7,10-12,15H2,1-3H3/t17-,18-,19-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 1 enriched rat brain microsome prepara...


J Med Chem 39: 3790-6 (1996)


Article DOI: 10.1021/jm950934b
BindingDB Entry DOI: 10.7270/Q2TT4RM1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50053268
PNG
((6aR,9R,10aR)-3-Heptyl-9-hydroxymethyl-6,6-dimethy...)
Show SMILES CCCCCCCc1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H36O3/c1-4-5-6-7-8-9-16-13-20(25)22-18-12-17(15-24)10-11-19(18)23(2,3)26-21(22)14-16/h13-14,17-19,24-25H,4-12,15H2,1-3H3/t17-,18-,19-/m1/s1
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8.70n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 1 enriched rat brain microsome prepara...


J Med Chem 39: 3790-6 (1996)


Article DOI: 10.1021/jm950934b
BindingDB Entry DOI: 10.7270/Q2TT4RM1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50053265
PNG
((6aR,9R,10aR)-3-((Z)-Hept-1-enyl)-9-hydroxymethyl-...)
Show SMILES CCCCC\C=C/c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34O3/c1-4-5-6-7-8-9-16-13-20(25)22-18-12-17(15-24)10-11-19(18)23(2,3)26-21(22)14-16/h8-9,13-14,17-19,24-25H,4-7,10-12,15H2,1-3H3/b9-8-/t17-,18-,19-/m1/s1
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9.5n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 2 enriched mouse spleen preparation.


J Med Chem 39: 3790-6 (1996)


Article DOI: 10.1021/jm950934b
BindingDB Entry DOI: 10.7270/Q2TT4RM1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50053268
PNG
((6aR,9R,10aR)-3-Heptyl-9-hydroxymethyl-6,6-dimethy...)
Show SMILES CCCCCCCc1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H36O3/c1-4-5-6-7-8-9-16-13-20(25)22-18-12-17(15-24)10-11-19(18)23(2,3)26-21(22)14-16/h13-14,17-19,24-25H,4-12,15H2,1-3H3/t17-,18-,19-/m1/s1
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14n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 2 enriched mouse spleen preparation.


J Med Chem 39: 3790-6 (1996)


Article DOI: 10.1021/jm950934b
BindingDB Entry DOI: 10.7270/Q2TT4RM1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
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=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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39n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 2 enriched mouse spleen preparation.


J Med Chem 39: 3790-6 (1996)


Article DOI: 10.1021/jm950934b
BindingDB Entry DOI: 10.7270/Q2TT4RM1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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 |r,t:11|
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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48n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 1 enriched rat brain microsome prepara...


J Med Chem 39: 3790-6 (1996)


Article DOI: 10.1021/jm950934b
BindingDB Entry DOI: 10.7270/Q2TT4RM1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50053267
PNG
((6aR,9R,10aR)-3-Hept-1-ynyl-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCC#Cc1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H32O3/c1-4-5-6-7-8-9-16-13-20(25)22-18-12-17(15-24)10-11-19(18)23(2,3)26-21(22)14-16/h13-14,17-19,24-25H,4-7,10-12,15H2,1-3H3/t17-,18-,19-/m1/s1
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62n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 2 enriched mouse spleen preparation.


J Med Chem 39: 3790-6 (1996)


Article DOI: 10.1021/jm950934b
BindingDB Entry DOI: 10.7270/Q2TT4RM1
More data for this
Ligand-Target Pair