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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50463774'   
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))
BDBM50463774
PNG
(CHEMBL4243768)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCCCC1 |r,c:4|
Show InChI InChI=1S/C25H36N2O3/c1-17-8-9-21-20(14-17)24-22(28)15-19(16-23(24)30-25(21,3)4)18(2)26-29-13-12-27-10-6-5-7-11-27/h8,15-16,20-21,28H,5-7,9-14H2,1-4H3/b26-18+/t20-,21-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from rat brain Cb1 receptor


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50463774
PNG
(CHEMBL4243768)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCCCC1 |r,c:4|
Show InChI InChI=1S/C25H36N2O3/c1-17-8-9-21-20(14-17)24-22(28)15-19(16-23(24)30-25(21,3)4)18(2)26-29-13-12-27-10-6-5-7-11-27/h8,15-16,20-21,28H,5-7,9-14H2,1-4H3/b26-18+/t20-,21-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat Cb1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels


Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair