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BDBM50175104 (5Z,8Z,11Z,14Z)-1-(4-(4-chlorophenyl)piperazin-1-yl)icosa-5,8,11,14-tetraen-1-one::CHEMBL197969

SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N1CCN(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=QGGDNPPFGLAESI-DOFZRALJSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50175104   
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 1


(Homo sapiens (Human))
BDBM50175104
PNG
((5Z,8Z,11Z,14Z)-1-(4-(4-chlorophenyl)piperazin-1-y...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H43ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)33-26-24-32(25-27-33)29-22-20-28(31)21-23-29/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19,24-27H2,1H3/b7-6-,10-9-,13-12-,16-15-
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
600n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50175104
PNG
((5Z,8Z,11Z,14Z)-1-(4-(4-chlorophenyl)piperazin-1-y...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H43ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)33-26-24-32(25-27-33)29-22-20-28(31)21-23-29/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19,24-27H2,1H3/b7-6-,10-9-,13-12-,16-15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair