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BDBM50186533 (3Z,6Z,9Z,12Z)-17-((R)-1-hydroxypropan-2-ylamino)-17-oxoheptadeca-3,6,9,12-tetraenyl 2-azido-5-iodobenzoate::CHEMBL208548

SMILES: C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cc(I)ccc1N=[N+]=[N-]

InChI Key: InChIKey=XOZSROHJXDJOTN-NXSKXAQUSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50186533   
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))
BDBM50186533
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)c1cc(I)ccc1N=[N+]=[N-] |r|
Show InChI InChI=1S/C27H35IN4O4/c1-22(21-33)30-26(34)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-36-27(35)24-20-23(28)17-18-25(24)31-32-29/h2,4-5,7-8,10-11,13,17-18,20,22,33H,3,6,9,12,14-16,19,21H2,1H3,(H,30,34)/b4-2-,7-5-,10-8-,13-11-/t22-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



Université Montpellier 1

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3765-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.059
BindingDB Entry DOI: 10.7270/Q2M61JVG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50186533
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)c1cc(I)ccc1N=[N+]=[N-] |r|
Show InChI InChI=1S/C27H35IN4O4/c1-22(21-33)30-26(34)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-36-27(35)24-20-23(28)17-18-25(24)31-32-29/h2,4-5,7-8,10-11,13,17-18,20,22,33H,3,6,9,12,14-16,19,21H2,1H3,(H,30,34)/b4-2-,7-5-,10-8-,13-11-/t22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
570n/an/an/an/an/an/an/an/a



Université Montpellier 1

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3765-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.059
BindingDB Entry DOI: 10.7270/Q2M61JVG
More data for this
Ligand-Target Pair