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BDBM50116855 (S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-carbonyl]-amino}-3-thiophen-2-yl-propionic acid methyl ester::CHEMBL419282

SMILES: COC(=O)[C@H](Cc1cccs1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12

InChI Key: InChIKey=ZTVSDIAUVJTDBW-FQEVSTJZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50116855   
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))		BDBM50116855
PNG
((S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-eth...)
Show SMILES COC(=O)[C@H](Cc1cccs1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C25H31N3O5S/c1-17-22(24(29)26-20(25(30)32-3)16-18-6-5-15-34-18)19-7-4-8-21(31-2)23(19)28(17)10-9-27-11-13-33-14-12-27/h4-8,15,20H,9-14,16H2,1-3H3,(H,26,29)/t20-/m0/s1
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 12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer

Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair