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6 similar compounds to monomer 50239401

Compile data set for download or QSAR
Wt: 329.5
BDBM50174285
Wt: 285.4
BDBM50340809
Wt: 273.4
BDBM50411945
Wt: 273.4
BDBM50411946
Wt: 315.4
BDBM50411936
Wt: 273.4
BDBM50411937

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50174285,50340809,50411945,50411946,50411936,50411937   
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


(Mus musculus (mouse))
BDBM50174285
PNG
(3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...)
Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse 11beta-HSD1


Bioorg Med Chem Lett 15: 5266-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50411946
PNG
(CHEMBL401923)
Show SMILES CCCn1c(CC)nnc1C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H27N3/c1-3-5-20-15(4-2)18-19-16(20)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,3-11H2,1-2H3
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n/an/a 11.0n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50174285
PNG
(3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...)
Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against human 11beta-HSD1


Bioorg Med Chem Lett 15: 5266-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50174285
PNG
(3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...)
Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3
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n/an/a 183n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against human 11beta-HSD2


Bioorg Med Chem Lett 15: 5266-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50174285
PNG
(3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...)
Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisol to [3H]-cortisone by scintillation proximity assay


Bioorg Med Chem Lett 21: 2568-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.018
BindingDB Entry DOI: 10.7270/Q2QJ7HMK
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50174285
PNG
(3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...)
Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisol to [3H]-cortisone by scintillation proximity assay


Bioorg Med Chem Lett 21: 2568-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.018
BindingDB Entry DOI: 10.7270/Q2QJ7HMK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50174285
PNG
(3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...)
Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2568-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.018
BindingDB Entry DOI: 10.7270/Q2QJ7HMK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50174285
PNG
(3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...)
Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2568-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.018
BindingDB Entry DOI: 10.7270/Q2QJ7HMK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50340809
PNG
(3-Adamantan-1-yl-5,6,7,8,9,10-hexahydro-[1,2,4]tri...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H27N3/c1-2-4-6-21-16(5-3-1)19-20-17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2


Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50340809
PNG
(3-Adamantan-1-yl-5,6,7,8,9,10-hexahydro-[1,2,4]tri...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H27N3/c1-2-4-6-21-16(5-3-1)19-20-17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2
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n/an/a>4.00E+3n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2


Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340809
PNG
(3-Adamantan-1-yl-5,6,7,8,9,10-hexahydro-[1,2,4]tri...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H27N3/c1-2-4-6-21-16(5-3-1)19-20-17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2
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n/an/a 98n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting


Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340809
PNG
(3-Adamantan-1-yl-5,6,7,8,9,10-hexahydro-[1,2,4]tri...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H27N3/c1-2-4-6-21-16(5-3-1)19-20-17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2
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n/an/a 7.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting


Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50411936
PNG
(CHEMBL402046)
Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCn12
Show InChI InChI=1S/C20H33N3/c1-2-3-6-9-19-10-13-20(14-11-19,15-12-19)18-22-21-17-8-5-4-7-16-23(17)18/h2-16H2,1H3
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n/an/a 5.01n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50411937
PNG
(CHEMBL404186)
Show SMILES CCCCn1c(C)nnc1C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H27N3/c1-3-4-5-20-12(2)18-19-16(20)17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,3-11H2,1-2H3
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n/an/a 72.4n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50411945
PNG
(CHEMBL256173)
Show SMILES CCCc1nnc(n1CC)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H27N3/c1-3-5-15-18-19-16(20(15)4-2)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,3-11H2,1-2H3
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n/an/a 52.5n/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
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50174285
PNG
(3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...)
Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse 11beta-HSD2


Bioorg Med Chem Lett 15: 5266-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M
More data for this
Ligand-Target Pair