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BDBM50294771 CHEMBL549419::N-Adamantan-2-yl-2-[1-(isobutylcarbamoyl-methyl)-cyclopentyl]-acetamide

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

InChI Key: InChIKey=TTYLBFYDVOFEBJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294771   
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))
BDBM50294771
PNG
(CHEMBL549419 | N-Adamantan-2-yl-2-[1-(isobutylcarb...)
Show SMILES CC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:13:14:17:20.21.22,13:21:17:15.19.14,12:13:17.18.20:22,(8.27,-20.54,;6.93,-19.77,;6.93,-18.23,;5.6,-20.54,;4.27,-19.78,;2.93,-20.55,;2.94,-22.09,;1.6,-19.78,;.27,-20.55,;-1.07,-19.79,;-2.4,-20.56,;-2.4,-22.1,;-3.74,-19.8,;-5.02,-20.65,;-5.03,-22.18,;-6.43,-22.53,;-7.75,-22.04,;-8.95,-23.32,;-7.45,-22.9,;-6.04,-23.46,;-7.45,-21.31,;-6.42,-20.08,;-7.76,-20.55,;-.97,-21.47,;-.48,-22.93,;1.06,-22.92,;1.52,-21.45,)|
Show InChI InChI=1S/C23H38N2O2/c1-15(2)14-24-20(26)12-23(5-3-4-6-23)13-21(27)25-22-18-8-16-7-17(10-18)11-19(22)9-16/h15-19,22H,3-14H2,1-2H3,(H,24,26)(H,25,27)
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MMDB

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Article
PubMed
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