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PubMed code 12166938

Compile data set for download or QSAR
Found 8 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))
BDBM50117177
PNG
(1N-[2-hydroxy-1-methyl-(1R)-ethyl]-2-methyl-(2R,5Z...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC[C@@H](C)C(=O)N[C@H](C)CO
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)24(27)25-23(3)21-26/h8-9,11-12,14-15,17-18,22-23,26H,4-7,10,13,16,19-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-/t22-,23-/m1/s1
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7.42n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]


J Med Chem 45: 3649-59 (2002)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM85675
PNG
(Anandamide + PMSF | CHEMBL321585)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCO
Show InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
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34.4n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]


J Med Chem 45: 3649-59 (2002)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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39.2n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]


J Med Chem 45: 3649-59 (2002)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056457
PNG
((8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-8,11,14-trien...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)NCCO
Show InChI InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-
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53.4n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]


J Med Chem 45: 3649-59 (2002)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50117178
PNG
(1N-[2-hydroxy-1-methyl-(1R)-ethyl]-2-methyl-(2S,5Z...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](C)C(=O)N[C@H](C)CO
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)24(27)25-23(3)21-26/h8-9,11-12,14-15,17-18,22-23,26H,4-7,10,13,16,19-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-/t22-,23+/m0/s1
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185n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]


J Med Chem 45: 3649-59 (2002)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50117180
PNG
(1N-[2-hydroxy-1-methyl-(1S)-ethyl]-2-methyl-(2R,5Z...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC[C@@H](C)C(=O)N[C@@H](C)CO
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)24(27)25-23(3)21-26/h8-9,11-12,14-15,17-18,22-23,26H,4-7,10,13,16,19-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-/t22-,23+/m1/s1
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233n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]


J Med Chem 45: 3649-59 (2002)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50117179
PNG
(1N-[2-hydroxy-1-methyl-(1S)-ethyl]-2-methyl-(2S,5Z...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](C)C(=O)N[C@@H](C)CO
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)24(27)25-23(3)21-26/h8-9,11-12,14-15,17-18,22-23,26H,4-7,10,13,16,19-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-/t22-,23-/m0/s1
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389n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]


J Med Chem 45: 3649-59 (2002)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056456
PNG
((11Z,14Z)-Icosa-11,14-dienoic acid (2-hydroxy-ethy...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)NCCO
Show InChI InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,24H,2-5,8,11-21H2,1H3,(H,23,25)/b7-6-,10-9-
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>1.50E+3n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]


J Med Chem 45: 3649-59 (2002)

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