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BDBM50292882 (3Z,6Z,9Z,12Z)-17-((R)-1-hydroxypropan-2-ylamino)-17-oxoheptadeca-3,6,9,12-tetraenyl 2-tert-butyl-2-methylbenzo[d][1,3]dioxole-4-carboxylate::CHEMBL513597

SMILES: C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cccc2OC(C)(Oc12)C(C)(C)C

InChI Key: InChIKey=ZAAJQVMPSOBCJC-JJGXFYADSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50292882   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292882
PNG
((3Z,6Z,9Z,12Z)-17-((R)-1-hydroxypropan-2-ylamino)-...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cccc2OC(C)(Oc12)C(C)(C)C |r|
Show InChI InChI=1S/C33H47NO6/c1-26(25-35)34-29(36)23-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-38-31(37)27-21-20-22-28-30(27)40-33(5,39-28)32(2,3)4/h6,8-9,11-12,14-15,17,20-22,26,35H,7,10,13,16,18-19,23-25H2,1-5H3,(H,34,36)/b8-6-,11-9-,14-12-,17-15-/t26-,33?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55-940 from human recombinant CB2 receptor expressed in COS cells


J Med Chem 52: 1005-17 (2009)


Article DOI: 10.1021/jm8011382
BindingDB Entry DOI: 10.7270/Q2GF0TH3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292882
PNG
((3Z,6Z,9Z,12Z)-17-((R)-1-hydroxypropan-2-ylamino)-...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cccc2OC(C)(Oc12)C(C)(C)C |r|
Show InChI InChI=1S/C33H47NO6/c1-26(25-35)34-29(36)23-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-38-31(37)27-21-20-22-28-30(27)40-33(5,39-28)32(2,3)4/h6,8-9,11-12,14-15,17,20-22,26,35H,7,10,13,16,18-19,23-25H2,1-5H3,(H,34,36)/b8-6-,11-9-,14-12-,17-15-/t26-,33?/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55-940 from human recombinant CB1 receptor expressed in COS cells


J Med Chem 52: 1005-17 (2009)


Article DOI: 10.1021/jm8011382
BindingDB Entry DOI: 10.7270/Q2GF0TH3
More data for this
Ligand-Target Pair