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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1/Mu-type opioid receptor' and Ligand = 'BDBM179883'   
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/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179883
PNG
(US10287250, Example 00074 | US9133125, Table C, Co...)
Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)C(C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13|
Show InChI InChI=1/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12?,13-,18-,19+/s2
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US Patent
0.100 -57.1 3.30n/an/an/an/a7.525



ALKERMES PHARMA IRELAND LIMITED

US Patent


Assay Description
The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...


US Patent US9133125 (2015)


BindingDB Entry DOI: 10.7270/Q2736PPB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179883
PNG
(US10287250, Example 00074 | US9133125, Table C, Co...)
Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)C(C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13|
Show InChI InChI=1/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12?,13-,18-,19+/s2
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Article
0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company





Bioorg Med Chem Lett 17: 4284-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179883
PNG
(US10287250, Example 00074 | US9133125, Table C, Co...)
Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)C(C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13|
Show InChI InChI=1/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12?,13-,18-,19+/s2
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US Patent
0.190n/an/an/an/an/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent




US Patent US9656961 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z13
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179883
PNG
(US10287250, Example 00074 | US9133125, Table C, Co...)
Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)C(C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13|
Show InChI InChI=1/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12?,13-,18-,19+/s2
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Article
n/an/a 3.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company





Bioorg Med Chem Lett 17: 4284-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179883
PNG
(US10287250, Example 00074 | US9133125, Table C, Co...)
Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)C(C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13|
Show InChI InChI=1/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12?,13-,18-,19+/s2
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US Patent
n/an/a 14n/an/an/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent




US Patent US9656961 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z13
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179883
PNG
(US10287250, Example 00074 | US9133125, Table C, Co...)
Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)C(C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13|
Show InChI InChI=1/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12?,13-,18-,19+/s2
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Article
n/an/an/an/a 3.5n/an/an/an/a



Bristol-Myers Squibb Company





Bioorg Med Chem Lett 17: 4284-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179883
PNG
(US10287250, Example 00074 | US9133125, Table C, Co...)
Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)C(C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13|
Show InChI InChI=1/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12?,13-,18-,19+/s2
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PC cid
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US Patent
n/an/an/an/a 3.5n/an/a7.4n/a



ALKERMES PHARMA IRELAND LIMITED

US Patent


Assay Description
The EC50 and Imax for μ opioid receptors was determined using a [I35S]GTPγS binding assay. This assay measures the functional properties of a compo...


US Patent US9133125 (2015)


BindingDB Entry DOI: 10.7270/Q2736PPB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179883
PNG
(US10287250, Example 00074 | US9133125, Table C, Co...)
Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)C(C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13|
Show InChI InChI=1/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12?,13-,18-,19+/s2
PDB

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UniChem
US Patent
n/an/an/an/a 2.30n/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent




US Patent US9656961 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z13
More data for this
Ligand-Target Pair