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BDBM119217 US8673938, 75

SMILES: CCSc1nc(ccc1C(=O)NC1C2CC3CC(C2)CC1C3)N1C[C@H]2[C@@H](C1)[C@@H]2C(O)=O

InChI Key: InChIKey=WUYAHJJXCBDIKJ-NCIKYPDZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 119217   
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))
BDBM119217
PNG
(US8673938, 75)
Show SMILES CCSc1nc(ccc1C(=O)NC1C2CC3CC(C2)CC1C3)N1C[C@H]2[C@@H](C1)[C@@H]2C(O)=O |r,wU:24.27,25.29,wD:27.33,TLB:14:15:19:12.13.18,11:12:19:15.16.21,THB:14:13:19:15.16.21,16:15:12:19.17.18,16:17:12:15.14.21,11:12:15.14.21:19.17.18,(5.13,2.12,;3.59,2.12,;3.19,.63,;1.7,.23,;.61,1.32,;-.88,.92,;-1.27,-.56,;-.19,-1.65,;1.3,-1.25,;2.39,-2.34,;1.99,-3.83,;3.88,-1.94,;4.97,-3.03,;6.3,-2.27,;7.63,-3.03,;7.63,-4.57,;6.73,-6.5,;5.53,-5.83,;5.55,-3.43,;4.13,-6.47,;4.97,-4.57,;6.3,-5.35,;-1.97,2.01,;-1.97,3.55,;-3.43,4.03,;-4.33,2.78,;-3.43,1.54,;-4.96,4.19,;-6.29,4.96,;-6.29,6.5,;-7.63,4.19,)|
Show InChI InChI=1S/C24H31N3O3S/c1-2-31-23-16(3-4-19(25-23)27-10-17-18(11-27)20(17)24(29)30)22(28)26-21-14-6-12-5-13(8-14)9-15(21)7-12/h3-4,12-15,17-18,20-21H,2,5-11H2,1H3,(H,26,28)(H,29,30)/t12?,13?,14?,15?,17-,18+,20+,21?
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Similars

US Patent
n/an/a 6n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The conversion of cortisone to the active steroid cortisol by 11βHSD1 oxo-reductase activity, can be measured using a competitive homogeneous ti...


US Patent US8673938 (2014)


BindingDB Entry DOI: 10.7270/Q2610Z0D
More data for this
Ligand-Target Pair