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PubMed code 18333607

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))
BDBM50373120
PNG
(CHEMBL260977 | MK-0364)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(C)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H28ClN3O2/c1-18-8-13-25(30-17-18)33-27(3,4)26(32)31-19(2)24(15-20-9-11-23(28)12-10-20)22-7-5-6-21(14-22)16-29/h5-14,17,19,24H,15H2,1-4H3,(H,31,32)/t19-,24+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR-141716 from human wild type CB1R expressed in CHO cells


J Med Chem 51: 2108-14 (2008)


Article DOI: 10.1021/jm7014974
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR-141716 from human wild type CB1R expressed in CHO cells


J Med Chem 51: 2108-14 (2008)


Article DOI: 10.1021/jm7014974
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50373120
PNG
(CHEMBL260977 | MK-0364)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(C)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H28ClN3O2/c1-18-8-13-25(30-17-18)33-27(3,4)26(32)31-19(2)24(15-20-9-11-23(28)12-10-20)22-7-5-6-21(14-22)16-29/h5-14,17,19,24H,15H2,1-4H3,(H,31,32)/t19-,24+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.740n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human wild type CB1R expressed in CHO cells


J Med Chem 51: 2108-14 (2008)


Article DOI: 10.1021/jm7014974
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human wild type CB1R expressed in CHO cells


J Med Chem 51: 2108-14 (2008)


Article DOI: 10.1021/jm7014974
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%