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BDBM50128095 7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-carboxylic acid (1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amide::CHEMBL431363

SMILES: COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12

InChI Key: InChIKey=XWGGGOMMJKYRJR-PDPYFOFASA-N

Data: 2 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 2 hits for monomerid = 50128095   
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))
BDBM50128095
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940


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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128095
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/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