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PubMed code 26596711

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50317209
PNG
((2R)-N-(adamantan-2-yl)-1-ethylpyrrolidine-2-carbo...)
Show SMILES CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:6.7,TLB:16:15:19:12.11.10,16:11:14.15.17:19,THB:9:10:14.15.17:19,10:11:14:17.18.19,10:18:14:12.16.11,(-6.05,6.18,;-5.42,4.76,;-6.33,3.51,;-7.87,3.49,;-8.34,2.03,;-7.09,1.12,;-5.88,2.1,;-4.36,1.59,;-3,2.34,;-4.38,.05,;-5.73,-.7,;-5.74,-2.24,;-7.15,-2.6,;-8.49,-2.1,;-9.69,-3.39,;-8.18,-2.96,;-6.76,-3.53,;-8.19,-1.37,;-7.14,-.12,;-8.5,-.6,)|
Show InChI InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11?,12?,13?,14?,15-,16?/m1/s1
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 30 mins by scintillation proximit...

Bioorg Med Chem 23: 7607-17 (2015)


Article DOI: 10.1016/j.bmc.2015.11.004
BindingDB Entry DOI: 10.7270/Q2VH5RVR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50499941
PNG
(CHEMBL3740482)
Show SMILES CCN1CCC[C@@H]1C(=O)NC12CC3CC(F)(CC(C1)c1ccccc31)C2 |r,TLB:15:14:18:12.11.19.24,THB:13:14:18:12.11.19.24,16:17:11:13.14.25,16:14:11:17.18.19.24,15:14:11:17.18.19.24,23:24:11:13.14.25,20:19:11:13.14.25|
Show InChI InChI=1S/C22H29FN2O/c1-2-25-9-5-8-19(25)20(26)24-22-12-15-10-21(23,14-22)11-16(13-22)18-7-4-3-6-17(15)18/h3-4,6-7,15-16,19H,2,5,8-14H2,1H3,(H,24,26)/t15?,16?,19-,21?,22?/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 30 mins by scintillation proximit...

Bioorg Med Chem 23: 7607-17 (2015)


Article DOI: 10.1016/j.bmc.2015.11.004
BindingDB Entry DOI: 10.7270/Q2VH5RVR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50499940
PNG
(CHEMBL3740225)
Show SMILES CCN1CCC[C@@H]1C(=O)NC12CC3CC(C)(CC(C1)c1ccccc31)C2 |r,TLB:15:14:18:12.11.19.24,THB:13:14:18:12.11.19.24,16:17:11:13.14.25,16:14:11:17.18.19.24,15:14:11:17.18.19.24,23:24:11:13.14.25,20:19:11:13.14.25|
Show InChI InChI=1S/C23H32N2O/c1-3-25-10-6-9-20(25)21(26)24-23-13-16-11-22(2,15-23)12-17(14-23)19-8-5-4-7-18(16)19/h4-5,7-8,16-17,20H,3,6,9-15H2,1-2H3,(H,24,26)/t16?,17?,20-,22?,23?/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 30 mins by scintillation proximit...

Bioorg Med Chem 23: 7607-17 (2015)


Article DOI: 10.1016/j.bmc.2015.11.004
BindingDB Entry DOI: 10.7270/Q2VH5RVR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%