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BDBM50294767 CHEMBL562113::N-Adamantan-2-yl-2-{1-[(2-methoxy-phenylcarbamoyl)-methyl]-cyclopentyl}-acetamide

SMILES: COc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1

InChI Key: InChIKey=HARYENMNTXZURV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294767   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50294767
PNG
(CHEMBL562113 | N-Adamantan-2-yl-2-{1-[(2-methoxy-p...)
Show SMILES COc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(6.77,1.1,;5.44,.32,;5.45,-1.22,;6.78,-1.98,;6.79,-3.53,;5.45,-4.3,;4.12,-3.53,;4.12,-1.98,;2.79,-1.22,;1.46,-1.99,;1.46,-3.53,;.12,-1.22,;-1.21,-2,;-2.55,-1.23,;-3.88,-2,;-3.88,-3.54,;-5.22,-1.24,;-6.5,-2.09,;-6.51,-3.62,;-7.9,-3.97,;-9.23,-3.48,;-10.43,-4.76,;-8.93,-4.34,;-7.52,-4.9,;-8.93,-2.75,;-7.89,-1.52,;-9.24,-1.99,;-2.45,-2.91,;-1.96,-4.37,;-.42,-4.36,;.04,-2.89,)|
Show InChI InChI=1S/C26H36N2O3/c1-31-22-7-3-2-6-21(22)27-23(29)15-26(8-4-5-9-26)16-24(30)28-25-19-11-17-10-18(13-19)14-20(25)12-17/h2-3,6-7,17-20,25H,4-5,8-16H2,1H3,(H,27,29)(H,28,30)
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n/an/a 9n/an/an/an/an/an/a



Merck-Serono

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay


Bioorg Med Chem Lett 19: 2674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H
More data for this
Ligand-Target Pair