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BDBM50348135 CHEMBL1800181

SMILES: O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC(=O)OCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1

InChI Key: InChIKey=QOTAUZLULHXTFX-AWJHAJMOSA-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 = 50348135   
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))
BDBM50348135
PNG
(CHEMBL1800181)
Show SMILES O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC(=O)OCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1 |r|
Show InChI InChI=1S/C38H60N4O5S/c43-34(23-19-18-22-33-37-32(30-48-33)41-38(46)42-37)39-28-20-15-17-25-36(45)47-29-21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-24-35(44)40-31-26-27-31/h2-5,8-11,31-33,37H,1,6-7,12-30H2,(H,39,43)(H,40,44)(H2,41,42,46)/b4-2-,5-3-,10-8-,11-9-/t32-,33-,37-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348135
PNG
(CHEMBL1800181)
Show SMILES O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC(=O)OCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1 |r|
Show InChI InChI=1S/C38H60N4O5S/c43-34(23-19-18-22-33-37-32(30-48-33)41-38(46)42-37)39-28-20-15-17-25-36(45)47-29-21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-24-35(44)40-31-26-27-31/h2-5,8-11,31-33,37H,1,6-7,12-30H2,(H,39,43)(H,40,44)(H2,41,42,46)/b4-2-,5-3-,10-8-,11-9-/t32-,33-,37-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair