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BDBM50287804 2-[1-(3-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-morpholin-4-yl-ethanone::CHEMBL75571

SMILES: COc1ccc2n(C(=O)c3cccc(Cl)c3)c(C)c(CC(=O)N3CCOCC3)c2c1

InChI Key: InChIKey=DXPRKHIXIBCRGA-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50287804   
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))
BDBM50287804
PNG
(2-[1-(3-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-8-10-30-11-9-25)20-13-18(29-2)6-7-21(20)26(15)23(28)16-4-3-5-17(24)12-16/h3-7,12-13H,8-11,14H2,1-2H3
PDB

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PC cid
PC sid
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Similars

Article
354n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287804
PNG
(2-[1-(3-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-8-10-30-11-9-25)20-13-18(29-2)6-7-21(20)26(15)23(28)16-4-3-5-17(24)12-16/h3-7,12-13H,8-11,14H2,1-2H3
PDB

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UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
1.68E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN
More data for this
Ligand-Target Pair