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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'bratton' and Initial = 'sm'   
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


(Mus musculus (Mouse))
BDBM50088439
PNG
(CHEMBL3526578)
Show SMILES FCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2
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0.395n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis


Drug Metab Dispos 40: 2174-84 (2012)


Article DOI: 10.1124/dmd.112.047530
BindingDB Entry DOI: 10.7270/Q23R0VK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50353747
PNG
(CHEMBL561013 | JWH-018)
Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis


Drug Metab Dispos 40: 2174-84 (2012)


Article DOI: 10.1124/dmd.112.047530
BindingDB Entry DOI: 10.7270/Q23R0VK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (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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15n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis


Drug Metab Dispos 40: 2174-84 (2012)


Article DOI: 10.1124/dmd.112.047530
BindingDB Entry DOI: 10.7270/Q23R0VK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50088440
PNG
(CHEMBL3526291)
Show SMILES CC(O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO2/c1-17(26)8-7-15-25-16-22(20-12-4-5-14-23(20)25)24(27)21-13-6-10-18-9-2-3-11-19(18)21/h2-6,9-14,16-17,26H,7-8,15H2,1H3
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15n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis


Drug Metab Dispos 40: 2174-84 (2012)


Article DOI: 10.1124/dmd.112.047530
BindingDB Entry DOI: 10.7270/Q23R0VK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50088444
PNG
(CHEMBL3526177)
Show SMILES OCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO2/c26-16-7-1-6-15-25-17-22(20-12-4-5-14-23(20)25)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17,26H,1,6-7,15-16H2
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35n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis


Drug Metab Dispos 40: 2174-84 (2012)


Article DOI: 10.1124/dmd.112.047530
BindingDB Entry DOI: 10.7270/Q23R0VK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50088441
PNG
(CHEMBL3526290)
Show SMILES OC(=O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H21NO3/c26-23(27)14-5-6-15-25-16-21(19-11-3-4-13-22(19)25)24(28)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16H,5-6,14-15H2,(H,26,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis


Drug Metab Dispos 40: 2174-84 (2012)


Article DOI: 10.1124/dmd.112.047530
BindingDB Entry DOI: 10.7270/Q23R0VK3
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A9


(Homo sapiens (Human))
BDBM50008347
PNG
(5-(2-(diethylamino)ethylamino)-8-hydroxy-6H-imidaz...)
Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3
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9.58E+5n/an/an/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A9 activity expressed in baculovirus-infected Sf9 cells


Drug Metab Dispos 40: 1736-43 (2012)


Article DOI: 10.1124/dmd.112.045401
BindingDB Entry DOI: 10.7270/Q25H7J0M
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A9


(Homo sapiens (Human))
BDBM50088499
PNG
(CHEMBL329092)
Show SMILES CN(C)CCCNc1ccc2nnn3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C18H19N5O2/c1-22(2)9-3-8-19-13-5-6-14-17-16(13)18(25)12-10-11(24)4-7-15(12)23(17)21-20-14/h4-7,10,19,24H,3,8-9H2,1-2H3
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1.65E+6n/an/an/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A9 activity expressed in baculovirus-infected Sf9 cells


Drug Metab Dispos 40: 1736-43 (2012)


Article DOI: 10.1124/dmd.112.045401
BindingDB Entry DOI: 10.7270/Q25H7J0M
More data for this
Ligand-Target Pair