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BDBM50493986 CHEMBL2442635

SMILES: CC(C)CCNC(=O)\C=C\C=C\C=C\c1cccs1

InChI Key: InChIKey=CDHCPJUXYQLWFD-IZMYCKBJSA-N

Data: 4 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 4 hits for monomerid = 50493986   
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


(Mus musculus (Mouse))
BDBM50493986
PNG
(CHEMBL2442635)
Show SMILES CC(C)CCNC(=O)\C=C\C=C\C=C\c1cccs1
Show InChI InChI=1S/C16H21NOS/c1-14(2)11-12-17-16(18)10-6-4-3-5-8-15-9-7-13-19-15/h3-10,13-14H,11-12H2,1-2H3,(H,17,18)/b4-3+,8-5+,10-6+
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



UOS of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from cannabinoid CB1 receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 21: 7074-82 (2013)


Article DOI: 10.1016/j.bmc.2013.09.017
BindingDB Entry DOI: 10.7270/Q25D8VTF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50493986
PNG
(CHEMBL2442635)
Show SMILES CC(C)CCNC(=O)\C=C\C=C\C=C\c1cccs1
Show InChI InChI=1S/C16H21NOS/c1-14(2)11-12-17-16(18)10-6-4-3-5-8-15-9-7-13-19-15/h3-10,13-14H,11-12H2,1-2H3,(H,17,18)/b4-3+,8-5+,10-6+
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KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



UOS of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from cannabinoid CB2 receptor in CD1 mouse spleen membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 21: 7074-82 (2013)


Article DOI: 10.1016/j.bmc.2013.09.017
BindingDB Entry DOI: 10.7270/Q25D8VTF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50493986
PNG
(CHEMBL2442635)
Show SMILES CC(C)CCNC(=O)\C=C\C=C\C=C\c1cccs1
Show InChI InChI=1S/C16H21NOS/c1-14(2)11-12-17-16(18)10-6-4-3-5-8-15-9-7-13-19-15/h3-10,13-14H,11-12H2,1-2H3,(H,17,18)/b4-3+,8-5+,10-6+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.10E+3n/an/an/an/an/an/an/an/a



UOS of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 21: 7074-82 (2013)


Article DOI: 10.1016/j.bmc.2013.09.017
BindingDB Entry DOI: 10.7270/Q25D8VTF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50493986
PNG
(CHEMBL2442635)
Show SMILES CC(C)CCNC(=O)\C=C\C=C\C=C\c1cccs1
Show InChI InChI=1S/C16H21NOS/c1-14(2)11-12-17-16(18)10-6-4-3-5-8-15-9-7-13-19-15/h3-10,13-14H,11-12H2,1-2H3,(H,17,18)/b4-3+,8-5+,10-6+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.65E+4n/an/an/an/an/an/an/an/a



UOS of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 21: 7074-82 (2013)


Article DOI: 10.1016/j.bmc.2013.09.017
BindingDB Entry DOI: 10.7270/Q25D8VTF
More data for this
Ligand-Target Pair