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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 290.4
BDBM22473
Wt: 266.2
BDBM50067044
Purchase
Wt: 306.3
BDBM50264832
Purchase
Wt: 270.2
BDBM50266759
Purchase
Wt: 296.3
BDBM50437197
Purchase
Wt: 310.3
BDBM50437199
Purchase
Wt: 286.3
BDBM50438063
Wt: 286.3
BDBM50438064
Wt: 296.4
BDBM50018795
Wt: 282.3
BDBM50018808
Wt: 296.4
BDBM50018809
Wt: 282.3
BDBM50018810
Wt: 296.4
BDBM50018811
Wt: 283.3
BDBM50018812
Wt: 296.4
BDBM50018814
Displayed 1 to 15 (of 185 total )  |  Next  |  Last  >>

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

Found 56 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))
BDBM22473
PNG
(2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...)
Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1
Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)
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3 -48.2n/an/an/an/an/a7.222



Biovitrum AB



Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...


J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM22473
PNG
(2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...)
Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1
Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)
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120 -39.1n/an/an/an/an/a7.222



Biovitrum AB



Assay Description
Enzyme assays were performed using purified recombinant enzymes, incubating with test compound and [3H]cortisone/NADPH. After incubation, the amount ...


J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM22473
PNG
(2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...)
Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1
Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)
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180 -38.1n/an/an/an/an/a7.222



Biovitrum AB



Assay Description
Enzyme assays were performed using purified recombinant enzymes, incubating with test compound and [3H]cortisone/NADPH. After incubation, the amount ...


J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50018795
PNG
(CHEMBL3291339)
Show SMILES CCn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-5-20-16-15(14-11-12-19(16,4)18(14,2)3)17(22)21(20)13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3/t14-,19+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018795
PNG
(CHEMBL3291339)
Show SMILES CCn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-5-20-16-15(14-11-12-19(16,4)18(14,2)3)17(22)21(20)13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3/t14-,19+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50438064
PNG
(CHEMBL2409730)
Show SMILES O=S1(=O)NC(O[C@H]2CCCC[C@@H]12)=NC1CCCCC1
Show InChI InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Sanofi Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 23: 4685-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.102
BindingDB Entry DOI: 10.7270/Q2BV7J2H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50438064
PNG
(CHEMBL2409730)
Show SMILES O=S1(=O)NC(O[C@H]2CCCC[C@@H]12)=NC1CCCCC1
Show InChI InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Sanofi Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 23: 4685-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.102
BindingDB Entry DOI: 10.7270/Q2BV7J2H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50018808
PNG
(CHEMBL3291337)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-17(2)13-10-11-18(17,3)15-14(13)16(21)20(19(15)4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-,18+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50018809
PNG
(CHEMBL3291356)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-18(2)14-10-11-19(18,3)16-15(14)17(22)21(20(16)4)12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/t14-,19+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50018810
PNG
(CHEMBL3291338)
Show SMILES Cn1c2c([C@@H]3CC[C@@]2(C)C3(C)C)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-17(2)13-10-11-18(17,3)15-14(13)16(21)20(19(15)4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-,18+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018809
PNG
(CHEMBL3291356)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-18(2)14-10-11-19(18,3)16-15(14)17(22)21(20(16)4)12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/t14-,19+/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50018811
PNG
(CHEMBL3291351)
Show SMILES Cc1ccc(cc1)-n1n(C)c2c([C@H]3CC[C@]2(C)C3(C)C)c1=O
Show InChI InChI=1S/C19H24N2O/c1-12-6-8-13(9-7-12)21-17(22)15-14-10-11-19(4,18(14,2)3)16(15)20(21)5/h6-9,14H,10-11H2,1-5H3/t14-,19+/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018811
PNG
(CHEMBL3291351)
Show SMILES Cc1ccc(cc1)-n1n(C)c2c([C@H]3CC[C@]2(C)C3(C)C)c1=O
Show InChI InChI=1S/C19H24N2O/c1-12-6-8-13(9-7-12)21-17(22)15-14-10-11-19(4,18(14,2)3)16(15)20(21)5/h6-9,14H,10-11H2,1-5H3/t14-,19+/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50266759
PNG
((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...)
Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
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n/an/a 100n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells


Bioorg Med Chem Lett 20: 2549-51 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.089
BindingDB Entry DOI: 10.7270/Q2R211J3
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018810
PNG
(CHEMBL3291338)
Show SMILES Cn1c2c([C@@H]3CC[C@@]2(C)C3(C)C)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-17(2)13-10-11-18(17,3)15-14(13)16(21)20(19(15)4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-,18+/m0/s1
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n/an/a 116n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018808
PNG
(CHEMBL3291337)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-17(2)13-10-11-18(17,3)15-14(13)16(21)20(19(15)4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-,18+/m1/s1
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n/an/a 138n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50264832
PNG
(2,6-bis(4-hydroxybenzylidene)cyclohexanone | CHEMB...)
Show SMILES Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C20H18O3/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13,21-22H,1-3H2/b16-12+,17-13+
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n/an/a 195n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 transfected in CHOP cells


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50438063
PNG
(CHEMBL2409732)
Show SMILES O=S1(=O)NC(O[C@@H]2CCCC[C@@H]12)=NC1CCCCC1
Show InChI InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12-/m1/s1
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n/an/a 197n/an/an/an/an/an/a



Sanofi Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 23: 4685-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.102
BindingDB Entry DOI: 10.7270/Q2BV7J2H
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50266759
PNG
((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...)
Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
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n/an/a 229n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50438064
PNG
(CHEMBL2409730)
Show SMILES O=S1(=O)NC(O[C@H]2CCCC[C@@H]12)=NC1CCCCC1
Show InChI InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12+/m0/s1
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n/an/a 246n/an/an/an/an/an/a



Sanofi Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Bioorg Med Chem Lett 23: 4685-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.102
BindingDB Entry DOI: 10.7270/Q2BV7J2H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50437199
PNG
(2,6-Bis(4-Fluorobenzylidene)Cyclohexanone | CHEMBL...)
Show SMILES Fc1ccc(\C=C2/CCC\C(=C/c3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C20H16F2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12+,17-13+
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n/an/a 263n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 transfected in CHOP cells


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50437197
PNG
(2,5-Bis(4-Fluorobenzylidene)Cyclopentanone | CHEMB...)
Show SMILES Fc1ccc(\C=C2/CC\C(=C/c3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C19H14F2O/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12H,5-6H2/b15-11+,16-12+
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n/an/a 310n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 transfected in CHOP cells


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50438064
PNG
(CHEMBL2409730)
Show SMILES O=S1(=O)NC(O[C@H]2CCCC[C@@H]12)=NC1CCCCC1
Show InChI InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12+/m0/s1
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n/an/a 328n/an/an/an/an/an/a



Sanofi Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 23: 4685-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.102
BindingDB Entry DOI: 10.7270/Q2BV7J2H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50266759
PNG
((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...)
Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
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n/an/a 507n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 transfected in CHOP cells


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50438063
PNG
(CHEMBL2409732)
Show SMILES O=S1(=O)NC(O[C@@H]2CCCC[C@@H]12)=NC1CCCCC1
Show InChI InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12-/m1/s1
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n/an/a 575n/an/an/an/an/an/a



Sanofi Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 23: 4685-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.102
BindingDB Entry DOI: 10.7270/Q2BV7J2H
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50264832
PNG
(2,6-bis(4-hydroxybenzylidene)cyclohexanone | CHEMB...)
Show SMILES Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C20H18O3/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13,21-22H,1-3H2/b16-12+,17-13+
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n/an/a 633n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50018812
PNG
(CHEMBL3291353)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1ccccn1
Show InChI InChI=1S/C17H21N3O/c1-16(2)11-8-9-17(16,3)14-13(11)15(21)20(19(14)4)12-7-5-6-10-18-12/h5-7,10-11H,8-9H2,1-4H3/t11-,17+/m1/s1
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n/an/a 634n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50067044
PNG
((1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-...)
Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+
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n/an/a 832n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 transfected in CHOP cells


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50067044
PNG
((1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-...)
Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+
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n/an/a 986n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50437199
PNG
(2,6-Bis(4-Fluorobenzylidene)Cyclohexanone | CHEMBL...)
Show SMILES Fc1ccc(\C=C2/CCC\C(=C/c3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C20H16F2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12+,17-13+
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n/an/a 1.11E+3n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50438063
PNG
(CHEMBL2409732)
Show SMILES O=S1(=O)NC(O[C@@H]2CCCC[C@@H]12)=NC1CCCCC1
Show InChI InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12-/m1/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



Sanofi Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Bioorg Med Chem Lett 23: 4685-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.102
BindingDB Entry DOI: 10.7270/Q2BV7J2H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50438064
PNG
(CHEMBL2409730)
Show SMILES O=S1(=O)NC(O[C@H]2CCCC[C@@H]12)=NC1CCCCC1
Show InChI InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12+/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



Sanofi Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 23: 4685-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.102
BindingDB Entry DOI: 10.7270/Q2BV7J2H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50264832
PNG
(2,6-bis(4-hydroxybenzylidene)cyclohexanone | CHEMB...)
Show SMILES Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C20H18O3/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13,21-22H,1-3H2/b16-12+,17-13+
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n/an/a 1.94E+3n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using [3H]-cortisone as substrate assessed as formation of cortisol after 60 to 90 mins by radiom...


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50437199
PNG
(2,6-Bis(4-Fluorobenzylidene)Cyclohexanone | CHEMBL...)
Show SMILES Fc1ccc(\C=C2/CCC\C(=C/c3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C20H16F2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12+,17-13+
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n/an/a 2.97E+3n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using [3H]-cortisone as substrate assessed as formation of cortisol after 60 to 90 mins by radiom...


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50266759
PNG
((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...)
Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
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n/an/a 3.30E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes


Bioorg Med Chem Lett 20: 2549-51 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.089
BindingDB Entry DOI: 10.7270/Q2R211J3
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50437197
PNG
(2,5-Bis(4-Fluorobenzylidene)Cyclopentanone | CHEMB...)
Show SMILES Fc1ccc(\C=C2/CC\C(=C/c3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C19H14F2O/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12H,5-6H2/b15-11+,16-12+
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n/an/a 3.47E+3n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50067044
PNG
((1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-...)
Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+
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n/an/a 4.42E+3n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using [3H]-cortisone as substrate assessed as formation of cortisol after 60 to 90 mins by radiom...


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018812
PNG
(CHEMBL3291353)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1ccccn1
Show InChI InChI=1S/C17H21N3O/c1-16(2)11-8-9-17(16,3)14-13(11)15(21)20(19(14)4)12-7-5-6-10-18-12/h5-7,10-11H,8-9H2,1-4H3/t11-,17+/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM22473
PNG
(2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...)
Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1
Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB



Assay Description
The assay was performed at room temperature in a 96-well microtiter plate containing substrate mixture [3H]cortisol/NAD+, inhibitors, and 11beta-HSD2...


J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018814
PNG
(CHEMBL3291352)
Show SMILES COc1c2[C@H]3CC[C@@](C)(c2nn1-c1ccc(C)cc1)C3(C)C
Show InChI InChI=1S/C19H24N2O/c1-12-6-8-13(9-7-12)21-17(22-5)15-14-10-11-19(4,16(15)20-21)18(14,2)3/h6-9,14H,10-11H2,1-5H3/t14-,19+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50437199
PNG
(2,6-Bis(4-Fluorobenzylidene)Cyclohexanone | CHEMBL...)
Show SMILES Fc1ccc(\C=C2/CCC\C(=C/c3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C20H16F2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12+,17-13+
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n/an/a 1.35E+4n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in rat testis microsomes using [3H]-11-DHC as substrate assessed as formation of CORT after 60 to 90 mins by radiometric an...


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50437197
PNG
(2,5-Bis(4-Fluorobenzylidene)Cyclopentanone | CHEMB...)
Show SMILES Fc1ccc(\C=C2/CC\C(=C/c3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C19H14F2O/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12H,5-6H2/b15-11+,16-12+
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n/an/a 1.74E+4n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using [3H]-cortisone as substrate assessed as formation of cortisol after 60 to 90 mins by radiom...


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50437197
PNG
(2,5-Bis(4-Fluorobenzylidene)Cyclopentanone | CHEMB...)
Show SMILES Fc1ccc(\C=C2/CC\C(=C/c3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C19H14F2O/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12H,5-6H2/b15-11+,16-12+
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n/an/a 2.20E+4n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in rat testis microsomes using [3H]-11-DHC as substrate assessed as formation of CORT after 60 to 90 mins by radiometric an...


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50018814
PNG
(CHEMBL3291352)
Show SMILES COc1c2[C@H]3CC[C@@](C)(c2nn1-c1ccc(C)cc1)C3(C)C
Show InChI InChI=1S/C19H24N2O/c1-12-6-8-13(9-7-12)21-17(22-5)15-14-10-11-19(4,16(15)20-21)18(14,2)3/h6-9,14H,10-11H2,1-5H3/t14-,19+/m1/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50018808
PNG
(CHEMBL3291337)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-17(2)13-10-11-18(17,3)15-14(13)16(21)20(19(15)4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-,18+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50067044
PNG
((1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-...)
Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+
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n/an/a 7.91E+4n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase


Eur J Med Chem 44: 3195-200 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.020
BindingDB Entry DOI: 10.7270/Q29S1R35
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50067044
PNG
((1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-...)
Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%


J Med Chem 41: 3948-60 (1998)


Article DOI: 10.1021/jm9707232
BindingDB Entry DOI: 10.7270/Q29024G3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50067044
PNG
((1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-...)
Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50266759
PNG
((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...)
Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase


Eur J Med Chem 44: 3195-200 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.020
BindingDB Entry DOI: 10.7270/Q29S1R35
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50264832
PNG
(2,6-bis(4-hydroxybenzylidene)cyclohexanone | CHEMB...)
Show SMILES Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C20H18O3/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13,21-22H,1-3H2/b16-12+,17-13+
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase


Eur J Med Chem 44: 3195-200 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.020
BindingDB Entry DOI: 10.7270/Q29S1R35
More data for this
Ligand-Target Pair
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