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BDBM50411930 CHEMBL257011

SMILES: CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O

InChI Key: InChIKey=OVWCXNJONVXOBU-PFUGWSBSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411930   
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))
BDBM50411930
PNG
(CHEMBL257011)
Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:14.14,wD:21.27,TLB:13:14:22.17.18:20,14:15:22:18.19.20,THB:16:17:20:23.15.14,16:15:22.17.18:20,14:19:22:23.16.15,(27.85,-18.03,;27.07,-16.72,;26.25,-15.4,;28.39,-15.91,;29.74,-16.65,;29.78,-18.2,;31.13,-18.93,;32.44,-18.13,;33.8,-18.86,;32.4,-16.58,;31.04,-15.85,;25.76,-17.54,;25.82,-19.08,;24.4,-16.82,;23.1,-17.64,;23.13,-19.16,;22.16,-20.46,;20.74,-19.94,;20.7,-18.36,;21.7,-17.1,;20.37,-17.62,;20.42,-19.1,;19.26,-20.4,;21.75,-19.55,;18.92,-18.69,;17.84,-19.77,;18.53,-17.21,)|
Show InChI InChI=1S/C20H26BrN3O3/c1-19(2,27-15-4-3-14(21)10-23-15)18(26)24-16-12-5-11-6-13(16)9-20(7-11,8-12)17(22)25/h3-4,10-13,16H,5-9H2,1-2H3,(H2,22,25)(H,24,26)/t11?,12?,13?,16-,20-
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Similars

Article
PubMed
n/an/a 6.03n/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