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SMILES: NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4ccc(cc4[nH]c1=O)C#N)C(C3)C2

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 186149   
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))
BDBM186149
PNG
(US9163012, 66)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4ccc(cc4[nH]c1=O)C#N)C(C3)C2 |r,wU:9.10,16.19,wD:3.2,TLB:6:7:32:4.5.31,6:5:32:7.9.8,THB:9:7:4:32.30.31,9:30:4:7.6.8,10:9:32:4.5.31,(-9.33,-20.25,;-8,-21.02,;-8,-22.56,;-6.67,-20.25,;-7.5,-22.15,;-6.1,-21.51,;-4.9,-22.17,;-4,-20.25,;-5.33,-21.02,;-4,-18.71,;-2.67,-17.94,;-1.34,-18.71,;-1.34,-20.25,;-0,-17.94,;-0,-16.4,;1.46,-15.92,;2.37,-17.17,;1.46,-18.42,;3.91,-17.17,;4.81,-18.42,;4.49,-19.92,;5.64,-20.95,;7.1,-20.48,;7.42,-18.97,;6.28,-17.94,;6.28,-16.4,;4.81,-15.92,;4.04,-14.59,;8.24,-21.51,;9.33,-22.6,;-5.33,-17.94,;-6.09,-19.1,;-6.67,-18.71,)|
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Similars

US Patent
n/an/a 2.48n/an/an/an/an/a25



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair