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BDBM50128098 2-Ethyl-7-methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-carboxylic acid (1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amide::CHEMBL304043

SMILES: CCc1c(C(=O)NC2[C@@]3(C)CC[C@H](C3)C2(C)C)c2cccc(OC)c2n1CCN1CCOCC1

InChI Key: InChIKey=KLYCJMRYFUFNJU-DJJDOJJOSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50128098   
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))
BDBM50128098
PNG
(2-Ethyl-7-methoxy-1-(2-morpholin-4-yl-ethyl)-1H-in...)
Show SMILES CCc1c(C(=O)NC2[C@@]3(C)CC[C@H](C3)C2(C)C)c2cccc(OC)c2n1CCN1CCOCC1
Show InChI InChI=1S/C28H41N3O3/c1-6-21-23(25(32)29-26-27(2,3)19-10-11-28(26,4)18-19)20-8-7-9-22(33-5)24(20)31(21)13-12-30-14-16-34-17-15-30/h7-9,19,26H,6,10-18H2,1-5H3,(H,29,32)/t19-,26?,28+/m1/s1
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110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair