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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 = 'BDBM50032583'   
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))
BDBM50032583
PNG
((4-Bromo-naphthalen-1-yl)-[2-methyl-1-(2-morpholin...)
Show SMILES Cc1c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H25BrN2O2/c1-18-25(26(30)21-10-11-23(27)20-7-3-2-6-19(20)21)22-8-4-5-9-24(22)29(18)13-12-28-14-16-31-17-15-28/h2-11H,12-17H2,1H3
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PC cid
PC sid
UniChem

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Article
PubMed
1.82E+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))
BDBM50032583
PNG
((4-Bromo-naphthalen-1-yl)-[2-methyl-1-(2-morpholin...)
Show SMILES Cc1c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H25BrN2O2/c1-18-25(26(30)21-10-11-23(27)20-7-3-2-6-19(20)21)22-8-4-5-9-24(22)29(18)13-12-28-14-16-31-17-15-28/h2-11H,12-17H2,1H3
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Article
PubMed
1.82E+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))
BDBM50032583
PNG
((4-Bromo-naphthalen-1-yl)-[2-methyl-1-(2-morpholin...)
Show SMILES Cc1c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H25BrN2O2/c1-18-25(26(30)21-10-11-23(27)20-7-3-2-6-19(20)21)22-8-4-5-9-24(22)29(18)13-12-28-14-16-31-17-15-28/h2-11H,12-17H2,1H3
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PubMed
n/an/a 6.90n/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