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Patent code US9416103

Compile Data Set for Download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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 (CB1R)


(Mus musculus (Mouse))
BDBM239073
PNG
(US9416103, CP-55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20?,22?/m1/s1
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0.370n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM239078
PNG
(US9416103, TV-5-157)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12
Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3
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0.810n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239078
PNG
(US9416103, TV-5-157)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12
Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM85804
PNG
(1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
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9.80n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM239077
PNG
(US9416103, TV-5-249)
Show SMILES CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c12
Show InChI InChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3
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10.9n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM85804
PNG
(1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
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12.9n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM85804
PNG
(1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
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12.9n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239074
PNG
(US9416103, JWH-073-M1)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2c(O)cccc12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-19(22-20(24)12-7-13-21(22)25)23(26)18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,25H,2-3,14H2,1H3
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14.1n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239077
PNG
(US9416103, TV-5-249)
Show SMILES CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c12
Show InChI InChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3
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15.4n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239075
PNG
(US9416103, JWH-073-M4)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3
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24.2n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM239079
PNG
(US9416103, TV-6-41)
Show SMILES CCCCn1cc(-c2cccc3ccccc23)c2cccc(OC)c12
Show InChI InChI=1S/C23H23NO/c1-3-4-15-24-16-21(20-13-8-14-22(25-2)23(20)24)19-12-7-10-17-9-5-6-11-18(17)19/h5-14,16H,3-4,15H2,1-2H3
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26.5n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239079
PNG
(US9416103, TV-6-41)
Show SMILES CCCCn1cc(-c2cccc3ccccc23)c2cccc(OC)c12
Show InChI InChI=1S/C23H23NO/c1-3-4-15-24-16-21(20-13-8-14-22(25-2)23(20)24)19-12-7-10-17-9-5-6-11-18(17)19/h5-14,16H,3-4,15H2,1-2H3
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37.3n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM239075
PNG
(US9416103, JWH-073-M4)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3
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78.3n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239075
PNG
(US9416103, JWH-073-M4)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3
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122n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM60993
PNG
(US9416103, JWH-073-M5)
Show SMILES OCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO2/c25-15-6-5-14-24-16-21(19-11-3-4-13-22(19)24)23(26)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16,25H,5-6,14-15H2
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224n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM239075
PNG
(US9416103, JWH-073-M4)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3
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251n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM239076
PNG
(US9416103, TV-5-129)
Show SMILES CCCCn1cc(C(=O)Cc2ccc(F)cc2)c2cccc(OC)c12
Show InChI InChI=1S/C21H22FNO2/c1-3-4-12-23-14-18(17-6-5-7-20(25-2)21(17)23)19(24)13-15-8-10-16(22)11-9-15/h5-11,14H,3-4,12-13H2,1-2H3
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281n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239076
PNG
(US9416103, TV-5-129)
Show SMILES CCCCn1cc(C(=O)Cc2ccc(F)cc2)c2cccc(OC)c12
Show InChI InChI=1S/C21H22FNO2/c1-3-4-12-23-14-18(17-6-5-7-20(25-2)21(17)23)19(24)13-15-8-10-16(22)11-9-15/h5-11,14H,3-4,12-13H2,1-2H3
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387n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM60992
PNG
(US9416103, JWH-073-M3)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(O)cc12
Show InChI InChI=1S/C23H21NO2/c1-2-3-13-24-15-21(19-12-11-17(25)14-22(19)24)23(26)20-10-6-8-16-7-4-5-9-18(16)20/h4-12,14-15,25H,2-3,13H2,1H3
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1.28E+3n/an/an/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239078
PNG
(US9416103, TV-5-157)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12
Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
BioDB n*138 SEQ ID NO: 2


(Artificial Organism)
BDBM239075
PNG
(US9416103, JWH-073-M4)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3
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n/an/a 225n/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM85804
PNG
(1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
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n/an/an/an/a 277n/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
[35S]GTPγS binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 μg of mouse brain homogenates were...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239074
PNG
(US9416103, JWH-073-M1)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2c(O)cccc12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-19(22-20(24)12-7-13-21(22)25)23(26)18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,25H,2-3,14H2,1H3
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n/an/an/an/a 113n/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
[35S]GTPγS binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 μg of mouse brain homogenates were...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM86515
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/an/an/a 77n/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
[35S]GTPγS binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 μg of mouse brain homogenates were...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM239073
PNG
(US9416103, CP-55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20?,22?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.5n/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
[35S]GTPγS binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 μg of mouse brain homogenates were...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%