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SMILES: COC(=O)Cn1c2cc(F)ccc2n([C@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O

InChI Key: InChIKey=USCDGWLJJCYJSQ-WDDJZBDMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 186156   
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))
BDBM186156
PNG
(US9163012, 73)
Show SMILES COC(=O)Cn1c2cc(F)ccc2n([C@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O |r,wU:22.23,wD:29.36,14.14,TLB:22:23:30:28.27.26,21:22:28:30.25.26,THB:22:27:30:23.24.31,24:23:28:30.25.26,24:25:28:23.22.31,(8.88,7.97,;7.55,8.74,;6.22,7.97,;6.22,6.43,;4.88,8.74,;3.55,7.97,;3.55,6.43,;4.69,5.4,;4.37,3.9,;5.52,2.87,;2.91,3.42,;1.76,4.45,;2.08,5.96,;1.18,7.2,;-.36,7.2,;-1.27,8.45,;-2.73,7.97,;-2.73,6.43,;-1.27,5.96,;-4.07,5.66,;-4.07,4.12,;-5.4,6.43,;-6.73,5.66,;-6.73,4.12,;-7.63,2.2,;-8.83,2.87,;-8.82,5.27,;-8.06,6.43,;-9.39,5.66,;-9.39,4.12,;-10.23,2.22,;-8.06,3.35,;-10.73,3.35,;-12.06,4.12,;-10.73,1.81,;2.08,8.45,;1.31,9.78,)|
Show InChI InChI=1S/C26H31FN4O6/c1-36-21(32)13-30-20-8-17(27)2-3-19(20)31(24(30)34)18-4-5-29(12-18)25(35)37-22-15-6-14-7-16(22)11-26(9-14,10-15)23(28)33/h2-3,8,14-16,18,22H,4-7,9-13H2,1H3,(H2,28,33)/t14?,15?,16?,18-,22-,26-/m0/s1
PDB
MMDB

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Similars

US Patent
n/an/a 4.52n/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