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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50032615'   
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


(Rattus norvegicus (rat))
BDBM50032615
PNG
(CHEMBL82361 | [6-Methyl-1-(2-morpholin-4-yl-ethyl)...)
Show SMILES Cc1ccc2c(cn(CCN3CCOCC3)c2c1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19-9-10-22-24(26(29)23-8-4-6-20-5-2-3-7-21(20)23)18-28(25(22)17-19)12-11-27-13-15-30-16-14-27/h2-10,17-18H,11-16H2,1H3
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PC cid
PC sid
UniChem

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Article
PubMed
3.63E+8n/an/an/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Cannabinoid receptor 1 binding affinity by measuring its ability to displace [3H]WIN-55212-2 in rat forebrain membranes


J Med Chem 41: 4521-32 (1998)


Article DOI: 10.1021/jm980305c
BindingDB Entry DOI: 10.7270/Q2XD14F0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50032615
PNG
(CHEMBL82361 | [6-Methyl-1-(2-morpholin-4-yl-ethyl)...)
Show SMILES Cc1ccc2c(cn(CCN3CCOCC3)c2c1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19-9-10-22-24(26(29)23-8-4-6-20-5-2-3-7-21(20)23)18-28(25(22)17-19)12-11-27-13-15-30-16-14-27/h2-10,17-18H,11-16H2,1H3
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Article
PubMed
3.63E+8n/an/an/an/an/an/an/an/a



Institute of Bioorganic & Petroleum Chemistry

Curated by ChEMBL


Assay Description
Binding affinity at cannabinoid receptor 1 using rat brain membranes


J Med Chem 44: 2411-20 (2001)


Article DOI: 10.1021/jm010858e
BindingDB Entry DOI: 10.7270/Q2GT5QXX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50032615
PNG
(CHEMBL82361 | [6-Methyl-1-(2-morpholin-4-yl-ethyl)...)
Show SMILES Cc1ccc2c(cn(CCN3CCOCC3)c2c1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19-9-10-22-24(26(29)23-8-4-6-20-5-2-3-7-21(20)23)18-28(25(22)17-19)12-11-27-13-15-30-16-14-27/h2-10,17-18H,11-16H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair