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PubMed code 24856183

Compile data set for download or QSAR
Found 4 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


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Corbus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in HEK293T cell membranes by scintillation counting


Bioorg Med Chem 22: 3245-51 (2014)


Article DOI: 10.1016/j.bmc.2014.04.062
BindingDB Entry DOI: 10.7270/Q22Z173H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Corbus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293T cell membranes by scintillation counting


Bioorg Med Chem 22: 3245-51 (2014)


Article DOI: 10.1016/j.bmc.2014.04.062
BindingDB Entry DOI: 10.7270/Q22Z173H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50019392
PNG
(CHEMBL3290053)
Show SMILES [H][C@@]12CC(=CC[C@@]1([H])C(C)(C)Oc1cc(cc(OC(C)=O)c21)C(C)(C)CCCCCC)C(O)=O |r,c:3|
Show InChI InChI=1S/C27H38O5/c1-7-8-9-10-13-26(3,4)19-15-22(31-17(2)28)24-20-14-18(25(29)30)11-12-21(20)27(5,6)32-23(24)16-19/h11,15-16,20-21H,7-10,12-14H2,1-6H3,(H,29,30)/t20-,21-/m1/s1
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PubMed
51n/an/an/an/an/an/an/an/a



Corbus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293T cell membranes by scintillation counting


Bioorg Med Chem 22: 3245-51 (2014)


Article DOI: 10.1016/j.bmc.2014.04.062
BindingDB Entry DOI: 10.7270/Q22Z173H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50019392
PNG
(CHEMBL3290053)
Show SMILES [H][C@@]12CC(=CC[C@@]1([H])C(C)(C)Oc1cc(cc(OC(C)=O)c21)C(C)(C)CCCCCC)C(O)=O |r,c:3|
Show InChI InChI=1S/C27H38O5/c1-7-8-9-10-13-26(3,4)19-15-22(31-17(2)28)24-20-14-18(25(29)30)11-12-21(20)27(5,6)32-23(24)16-19/h11,15-16,20-21H,7-10,12-14H2,1-6H3,(H,29,30)/t20-,21-/m1/s1
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Article
PubMed
628n/an/an/an/an/an/an/an/a



Corbus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in HEK293T cell membranes by scintillation counting


Bioorg Med Chem 22: 3245-51 (2014)


Article DOI: 10.1016/j.bmc.2014.04.062
BindingDB Entry DOI: 10.7270/Q22Z173H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%