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BDBM50411944 CHEMBL255148

SMILES: CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O

InChI Key: InChIKey=VSBPAZLSKLWBGS-QODXQOHISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411944   
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))
BDBM50411944
PNG
(CHEMBL255148)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:14.14,21.25,THB:23:21:14:16.17.18,13:14:16.17.18:20.21.22,(25.58,-1.61,;24.79,-.3,;23.97,1.02,;26.1,.5,;27.46,-.23,;27.49,-1.78,;28.85,-2.51,;30.16,-1.71,;31.52,-2.44,;30.12,-.16,;28.77,.57,;23.49,-1.12,;23.55,-2.66,;22.12,-.4,;20.82,-1.22,;19.32,-1.19,;17.53,-1.53,;16.99,-.09,;18.15,-.69,;19.88,-.34,;19.64,1.34,;18.15,1.37,;19.05,.56,;16.72,1.93,;15.51,.97,;16.49,3.46,)|
Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17+
PDB
MMDB

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Similars

Article
PubMed
n/an/a 21.9n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1


Bioorg Med Chem Lett 18: 2479-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.042
BindingDB Entry DOI: 10.7270/Q2QC04Q0
More data for this
Ligand-Target Pair