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SMILES: COc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1

InChI Key: InChIKey=GHCQHKJDEOAEFX-UHFFFAOYSA-N

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 3 hits for monomerid = 50424465   
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))
BDBM50424465
PNG
(CHEMBL2316404)
Show SMILES COc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C22H22N4O3/c1-29-19-10-9-18(20(26-19)22(28)24-13-14-5-4-6-14)25-21(27)16-11-12-23-17-8-3-2-7-15(16)17/h2-3,7-12,14H,4-6,13H2,1H3,(H,24,28)(H,25,27)
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PC sid
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Article
PubMed
n/an/an/an/a 16n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424465
PNG
(CHEMBL2316404)
Show SMILES COc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C22H22N4O3/c1-29-19-10-9-18(20(26-19)22(28)24-13-14-5-4-6-14)25-21(27)16-11-12-23-17-8-3-2-7-15(16)17/h2-3,7-12,14H,4-6,13H2,1H3,(H,24,28)(H,25,27)
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PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424465
PNG
(CHEMBL2316404)
Show SMILES COc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C22H22N4O3/c1-29-19-10-9-18(20(26-19)22(28)24-13-14-5-4-6-14)25-21(27)16-11-12-23-17-8-3-2-7-15(16)17/h2-3,7-12,14H,4-6,13H2,1H3,(H,24,28)(H,25,27)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair