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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 218.2
BDBM50207759
Wt: 182.2
BDBM50207793
Wt: 198.3
BDBM50207796
Purchase
Wt: 232.3
BDBM50207797
Purchase
Wt: 224.3
BDBM50207802
Purchase
Wt: 212.2
BDBM50212545
Wt: 233.2
BDBM50319309
Wt: 219.2
BDBM50356363
Wt: 194.2
BDBM50356364
Purchase
Wt: 220.3
BDBM50145579
Wt: 228.2
BDBM50145467
Wt: 222.3
BDBM50145502
Wt: 233.3
BDBM50145535
Wt: 192.2
BDBM50145581
Wt: 220.3
BDBM50145582
Displayed 1 to 15 (of 3260 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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))
BDBM50356364
PNG
(CHEMBL1911387)
Show SMILES OC(=O)CC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C12H18O2/c13-12(14)6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2,(H,13,14)
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n/an/a 860n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD-1


Bioorg Med Chem Lett 21: 6699-704 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50207797
PNG
(1-(4-ethylpiperazin-1-yl)-2-phenylethanone | CHEMB...)
Show SMILES CCN1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C14H20N2O/c1-2-15-8-10-16(11-9-15)14(17)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50356363
PNG
(CHEMBL1911380)
Show SMILES OC(=O)CC1(C#N)C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C13H17NO2/c14-7-13(6-12(15)16)10-2-8-1-9(4-10)5-11(13)3-8/h8-11H,1-6H2,(H,15,16)
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n/an/a 8.95E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD-1


Bioorg Med Chem Lett 21: 6699-704 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50319309
PNG
(1-(1-phenyl-1H-tetrazol-5-ylthio)propan-2-one | CH...)
Show SMILES CC(=O)CSc1cnnn1-c1ccccc1
Show InChI InChI=1S/C11H11N3OS/c1-9(15)8-16-11-7-12-13-14(11)10-5-3-2-4-6-10/h2-7H,8H2,1H3
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50212545
PNG
(1-(phenylsulfonyl)butan-2-one | CHEMBL240761)
Show SMILES CCC(=O)CS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C10H12O3S/c1-2-9(11)8-14(12,13)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells


Bioorg Med Chem 15: 4396-405 (2007)


Article DOI: 10.1016/j.bmc.2007.04.035
BindingDB Entry DOI: 10.7270/Q24M95CG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50207802
PNG
(CHEMBL248168 | cyclohexyl(4-ethylpiperazin-1-yl)me...)
Show SMILES CCN1CCN(CC1)C(=O)C1CCCCC1
Show InChI InChI=1S/C13H24N2O/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12/h12H,2-11H2,1H3
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n/an/a 5.30E+4n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50207793
PNG
(CHEMBL246745 | cyclopropyl(4-ethylpiperazin-1-yl)m...)
Show SMILES CCN1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C10H18N2O/c1-2-11-5-7-12(8-6-11)10(13)9-3-4-9/h9H,2-8H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50207759
PNG
((4-ethylpiperazin-1-yl)(phenyl)methanone | CHEMBL2...)
Show SMILES CCN1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50207796
PNG
(1-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one...)
Show SMILES CCN1CCN(CC1)C(=O)C(C)(C)C
Show InChI InChI=1S/C11H22N2O/c1-5-12-6-8-13(9-7-12)10(14)11(2,3)4/h5-9H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50145581
PNG
(CHEMBL3763293)
Show SMILES CC1=CC[C@H](CO)[C@]11CCC(=O)C=C1
Show InChI InChI=1S/C12H16O2/c1-9-2-3-10(8-13)12(9)6-4-11(14)5-7-12/h2,4,6,10,13H,3,5,7-8H2,1H3/t10-,12-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50145582
PNG
(CHEMBL3764924)
Show SMILES CC(C)C1=CC[C@H](CO)[C@]11CCC(=O)C=C1
Show InChI InChI=1S/C14H20O2/c1-10(2)13-4-3-11(9-15)14(13)7-5-12(16)6-8-14/h4-5,7,10-11,15H,3,6,8-9H2,1-2H3/t11-,14+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50145535
PNG
(CHEMBL3765185)
Show SMILES CC(C)C1=CC[C@H](C(N)=O)[C@]11CCC(=O)C=C1
Show InChI InChI=1S/C14H19NO2/c1-9(2)11-3-4-12(13(15)17)14(11)7-5-10(16)6-8-14/h3,5,7,9,12H,4,6,8H2,1-2H3,(H2,15,17)/t12-,14-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50145502
PNG
(CHEMBL3764064)
Show SMILES CC(C)C1=CC[C@H](CO)C11CCC(=O)CC1
Show InChI InChI=1S/C14H22O2/c1-10(2)13-4-3-11(9-15)14(13)7-5-12(16)6-8-14/h4,10-11,15H,3,5-9H2,1-2H3/t11-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50145467
PNG
(CHEMBL3765443)
Show SMILES OC[C@H]1Cc2ccccc2[C@@]11CCC(=O)C=C1
Show InChI InChI=1S/C15H16O2/c16-10-12-9-11-3-1-2-4-14(11)15(12)7-5-13(17)6-8-15/h1-5,7,12,16H,6,8-10H2/t12-,15+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50145579
PNG
(CHEMBL3765092)
Show SMILES CC(C)C1=CC[C@H](CO)[C@]11CCC(C)=CC1
Show InChI InChI=1S/C15H24O/c1-11(2)14-5-4-13(10-16)15(14)8-6-12(3)7-9-15/h5-6,11,13,16H,4,7-10H2,1-3H3/t13-,15+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair