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Compile Data Set for Download or QSAR

Found 14 hits of ki for monomerid = 50169951   
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))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosome membrane


J Med Chem 51: 6393-9 (2008)


Article DOI: 10.1021/jm8005299
BindingDB Entry DOI: 10.7270/Q2PV6K6F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in rat brain


J Med Chem 53: 5656-66 (2010)


Article DOI: 10.1021/jm100390h
BindingDB Entry DOI: 10.7270/Q2XW4K0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from rat CB1 receptor expressed in rat brain membrane by competitive binding assay


J Med Chem 56: 3904-21 (2013)


Article DOI: 10.1021/jm4000775
BindingDB Entry DOI: 10.7270/Q2VQ3429
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
BindingDB Entry DOI: 10.7270/Q2ST7PJ4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from rat brain CB1 receptor


Bioorg Med Chem Lett 16: 1616-20 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.026
BindingDB Entry DOI: 10.7270/Q2833RMF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]CP-55,940 binding to cannabinoid receptor 1 of rat brain


J Med Chem 48: 4576-85 (2005)


Article DOI: 10.1021/jm058175c
BindingDB Entry DOI: 10.7270/Q20K283W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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52n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from mouse CB2 receptor expressed in mouse spleen membrane by competitive binding assay


J Med Chem 56: 3904-21 (2013)


Article DOI: 10.1021/jm4000775
BindingDB Entry DOI: 10.7270/Q2VQ3429
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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52n/an/an/an/an/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from mouse CB2 receptor expressed in HEK293 cell membranes


J Med Chem 53: 5656-66 (2010)


Article DOI: 10.1021/jm100390h
BindingDB Entry DOI: 10.7270/Q2XW4K0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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52n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
BindingDB Entry DOI: 10.7270/Q2ST7PJ4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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52n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse spleen CB2 receptor


Bioorg Med Chem Lett 16: 1616-20 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.026
BindingDB Entry DOI: 10.7270/Q2833RMF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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52n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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52n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane


J Med Chem 51: 6393-9 (2008)


Article DOI: 10.1021/jm8005299
BindingDB Entry DOI: 10.7270/Q2PV6K6F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50169951
PNG
((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1
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52n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]CP-55,940 binding to cannabinoid receptor 2 of mouse spleen membranes


J Med Chem 48: 4576-85 (2005)


Article DOI: 10.1021/jm058175c
BindingDB Entry DOI: 10.7270/Q20K283W
More data for this
Ligand-Target Pair