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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 = 'BDBM50350156'   
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))
BDBM50350156
PNG
(CHEMBL1814463)
Show SMILES CCC1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C24H28N2O3/c1-2-17-13-29-20-5-3-4-18-21(20)26(17)12-19(22(18)27)23(28)25-24-9-14-6-15(10-24)8-16(7-14)11-24/h3-5,12,14-17H,2,6-11,13H2,1H3,(H,25,28)
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PC cid
PC sid
UniChem
Article
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689n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50350156
PNG
(CHEMBL1814463)
Show SMILES CCC1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C24H28N2O3/c1-2-17-13-29-20-5-3-4-18-21(20)26(17)12-19(22(18)27)23(28)25-24-9-14-6-15(10-24)8-16(7-14)11-24/h3-5,12,14-17H,2,6-11,13H2,1H3,(H,25,28)
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UniChem
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725n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50350156
PNG
(CHEMBL1814463)
Show SMILES CCC1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C24H28N2O3/c1-2-17-13-29-20-5-3-4-18-21(20)26(17)12-19(22(18)27)23(28)25-24-9-14-6-15(10-24)8-16(7-14)11-24/h3-5,12,14-17H,2,6-11,13H2,1H3,(H,25,28)
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PC cid
PC sid
UniChem
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair