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BDBM50347356 CHEMBL1801073

SMILES: CCc1nn(-c2ccc([C@@H](C)NC(=O)C3(CC3)NC(=O)c3cc(OC)no3)c(F)c2)c2ccccc12

InChI Key: InChIKey=SULJESTXXUAONP-OAHLLOKOSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50347356   
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))
BDBM50347356
PNG
(CHEMBL1801073)
Show SMILES CCc1nn(-c2ccc([C@@H](C)NC(=O)C3(CC3)NC(=O)c3cc(OC)no3)c(F)c2)c2ccccc12 |r|
Show InChI InChI=1S/C26H26FN5O4/c1-4-20-18-7-5-6-8-21(18)32(30-20)16-9-10-17(19(27)13-16)15(2)28-25(34)26(11-12-26)29-24(33)22-14-23(35-3)31-36-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,28,34)(H,29,33)/t15-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50347356
PNG
(CHEMBL1801073)
Show SMILES CCc1nn(-c2ccc([C@@H](C)NC(=O)C3(CC3)NC(=O)c3cc(OC)no3)c(F)c2)c2ccccc12 |r|
Show InChI InChI=1S/C26H26FN5O4/c1-4-20-18-7-5-6-8-21(18)32(30-20)16-9-10-17(19(27)13-16)15(2)28-25(34)26(11-12-26)29-24(33)22-14-23(35-3)31-36-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,28,34)(H,29,33)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair