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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50026716   
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


(Mus musculus (mouse))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249525
PNG
(CHEMBL470532 | N-((5-hydroxy-1,3,3-trimethylcycloh...)
Show SMILES CC1(C)CC(O)CC(C)(CNS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1
Show InChI InChI=1S/C22H27NO4S/c1-21(2)11-15(24)12-22(3,13-21)14-23-28(25,26)16-8-9-20-18(10-16)17-6-4-5-7-19(17)27-20/h4-10,15,23-24H,11-14H2,1-3H3
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n/an/a 440n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249525
PNG
(CHEMBL470532 | N-((5-hydroxy-1,3,3-trimethylcycloh...)
Show SMILES CC1(C)CC(O)CC(C)(CNS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1
Show InChI InChI=1S/C22H27NO4S/c1-21(2)11-15(24)12-22(3,13-21)14-23-28(25,26)16-8-9-20-18(10-16)17-6-4-5-7-19(17)27-20/h4-10,15,23-24H,11-14H2,1-3H3
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n/an/a 850n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249527
PNG
(CHEMBL470533 | ethyl 5-(2,5-dimethylphenylsulfonam...)
Show SMILES CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC
Show InChI InChI=1S/C22H25NO5S/c1-5-7-19-21(22(24)27-6-2)17-13-16(10-11-18(17)28-19)23-29(25,26)20-12-14(3)8-9-15(20)4/h8-13,23H,5-7H2,1-4H3
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n/an/a 980n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249081
PNG
(CHEMBL452136 | N'-(2,4-dihydroxy-6-methylbenzylide...)
Show SMILES Cc1cccc(OCC(=O)NN=Cc2c(C)cc(O)cc2O)c1 |w:11.10|
Show InChI InChI=1S/C17H18N2O4/c1-11-4-3-5-14(6-11)23-10-17(22)19-18-9-15-12(2)7-13(20)8-16(15)21/h3-9,20-21H,10H2,1-2H3,(H,19,22)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249082
PNG
(4-(benzofuran-2-carbonyl)-5-(2-fluorophenyl)-3-hyd...)
Show SMILES Cc1ccc(CSc2nnc(s2)N2C(C(C(=O)c3cc4ccccc4o3)C(=O)C2=O)c2ccccc2F)cc1
Show InChI InChI=1S/C29H20FN3O4S2/c1-16-10-12-17(13-11-16)15-38-29-32-31-28(39-29)33-24(19-7-3-4-8-20(19)30)23(26(35)27(33)36)25(34)22-14-18-6-2-5-9-21(18)37-22/h2-14,23-24H,15H2,1H3
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n/an/a 1.73E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249528
PNG
(2-(4-allyl-5-((phenylamino)methyl)-4H-1,2,4-triazo...)
Show SMILES CC(Sc1nnc(CNc2ccccc2)n1CC=C)C(=O)NN=Cc1cc(Br)ccc1O |w:23.25|
Show InChI InChI=1S/C22H23BrN6O2S/c1-3-11-29-20(14-24-18-7-5-4-6-8-18)26-28-22(29)32-15(2)21(31)27-25-13-16-12-17(23)9-10-19(16)30/h3-10,12-13,15,24,30H,1,11,14H2,2H3,(H,27,31)
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n/an/a 2.25E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249501
PNG
((E)-N'-(2,4-dihydroxy-6-methylbenzylidene)-2,3-dih...)
Show SMILES Cc1cc(O)cc(O)c1C=NNC(=O)C1COc2ccccc2O1 |w:10.11|
Show InChI InChI=1S/C17H16N2O5/c1-10-6-11(20)7-13(21)12(10)8-18-19-17(22)16-9-23-14-4-2-3-5-15(14)24-16/h2-8,16,20-21H,9H2,1H3,(H,19,22)
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n/an/a 3.02E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM25902
PNG
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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n/an/a 3.76E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM25902
PNG
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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n/an/a 3.76E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249080
PNG
(CHEMBL474575 | N-(3-chloro-4-hydroxynaphthalen-1-y...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12
Show InChI InChI=1S/C18H16ClNO3S/c1-11-7-8-17(12(2)9-11)24(22,23)20-16-10-15(19)18(21)14-6-4-3-5-13(14)16/h3-10,20-21H,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249526
PNG
(2-(2,4-dibromophenoxy)-N-(3-(1-hydroxyethyl)phenyl...)
Show SMILES CC(O)c1cccc(NC(=O)C(C)Oc2ccc(Br)cc2Br)c1
Show InChI InChI=1S/C17H17Br2NO3/c1-10(21)12-4-3-5-14(8-12)20-17(22)11(2)23-16-7-6-13(18)9-15(16)19/h3-11,21H,1-2H3,(H,20,22)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249527
PNG
(CHEMBL470533 | ethyl 5-(2,5-dimethylphenylsulfonam...)
Show SMILES CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC
Show InChI InChI=1S/C22H25NO5S/c1-5-7-19-21(22(24)27-6-2)17-13-16(10-11-18(17)28-19)23-29(25,26)20-12-14(3)8-9-15(20)4/h8-13,23H,5-7H2,1-4H3
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n/an/a 5.87E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249083
PNG
(CHEMBL473992 | N-Adamantan-1-yl-3-{[2-(4-bromo-3-m...)
Show SMILES CC(CC(=O)NC12CC3CC(CC(C3)C1)C2)=NNC(=O)COc1ccc(Br)c(C)c1 |w:16.19,TLB:5:6:9.8.13:11,THB:7:8:11:15.6.14,7:6:9.8.13:11,14:6:9:13.12.11,14:12:9:15.7.6,5:6:9:13.12.11|
Show InChI InChI=1S/C23H30BrN3O3/c1-14-5-19(3-4-20(14)24)30-13-22(29)27-26-15(2)6-21(28)25-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-5,16-18H,6-13H2,1-2H3,(H,25,28)(H,27,29)
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n/an/a 6.55E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249501
PNG
((E)-N'-(2,4-dihydroxy-6-methylbenzylidene)-2,3-dih...)
Show SMILES Cc1cc(O)cc(O)c1C=NNC(=O)C1COc2ccccc2O1 |w:10.11|
Show InChI InChI=1S/C17H16N2O5/c1-10-6-11(20)7-13(21)12(10)8-18-19-17(22)16-9-23-14-4-2-3-5-15(14)24-16/h2-8,16,20-21H,9H2,1H3,(H,19,22)
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n/an/a 7.98E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249110
PNG
(4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(pyridin-...)
Show SMILES CCCCOc1ccc(cc1C)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H30N2O4/c1-4-5-15-35-24-13-12-23(16-20(24)3)27(32)25-26(22-10-8-19(2)9-11-22)31(29(34)28(25)33)18-21-7-6-14-30-17-21/h6-14,16-17,25-26H,4-5,15,18H2,1-3H3
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n/an/a 8.48E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249528
PNG
(2-(4-allyl-5-((phenylamino)methyl)-4H-1,2,4-triazo...)
Show SMILES CC(Sc1nnc(CNc2ccccc2)n1CC=C)C(=O)NN=Cc1cc(Br)ccc1O |w:23.25|
Show InChI InChI=1S/C22H23BrN6O2S/c1-3-11-29-20(14-24-18-7-5-4-6-8-18)26-28-22(29)32-15(2)21(31)27-25-13-16-12-17(23)9-10-19(16)30/h3-10,12-13,15,24,30H,1,11,14H2,2H3,(H,27,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249110
PNG
(4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(pyridin-...)
Show SMILES CCCCOc1ccc(cc1C)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H30N2O4/c1-4-5-15-35-24-13-12-23(16-20(24)3)27(32)25-26(22-10-8-19(2)9-11-22)31(29(34)28(25)33)18-21-7-6-14-30-17-21/h6-14,16-17,25-26H,4-5,15,18H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249082
PNG
(4-(benzofuran-2-carbonyl)-5-(2-fluorophenyl)-3-hyd...)
Show SMILES Cc1ccc(CSc2nnc(s2)N2C(C(C(=O)c3cc4ccccc4o3)C(=O)C2=O)c2ccccc2F)cc1
Show InChI InChI=1S/C29H20FN3O4S2/c1-16-10-12-17(13-11-16)15-38-29-32-31-28(39-29)33-24(19-7-3-4-8-20(19)30)23(26(35)27(33)36)25(34)22-14-18-6-2-5-9-21(18)37-22/h2-14,23-24H,15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249081
PNG
(CHEMBL452136 | N'-(2,4-dihydroxy-6-methylbenzylide...)
Show SMILES Cc1cccc(OCC(=O)NN=Cc2c(C)cc(O)cc2O)c1 |w:11.10|
Show InChI InChI=1S/C17H18N2O4/c1-11-4-3-5-14(6-11)23-10-17(22)19-18-9-15-12(2)7-13(20)8-16(15)21/h3-9,20-21H,10H2,1-2H3,(H,19,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249526
PNG
(2-(2,4-dibromophenoxy)-N-(3-(1-hydroxyethyl)phenyl...)
Show SMILES CC(O)c1cccc(NC(=O)C(C)Oc2ccc(Br)cc2Br)c1
Show InChI InChI=1S/C17H17Br2NO3/c1-10(21)12-4-3-5-14(8-12)20-17(22)11(2)23-16-7-6-13(18)9-15(16)19/h3-11,21H,1-2H3,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249080
PNG
(CHEMBL474575 | N-(3-chloro-4-hydroxynaphthalen-1-y...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12
Show InChI InChI=1S/C18H16ClNO3S/c1-11-7-8-17(12(2)9-11)24(22,23)20-16-10-15(19)18(21)14-6-4-3-5-13(14)16/h3-10,20-21H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249083
PNG
(CHEMBL473992 | N-Adamantan-1-yl-3-{[2-(4-bromo-3-m...)
Show SMILES CC(CC(=O)NC12CC3CC(CC(C3)C1)C2)=NNC(=O)COc1ccc(Br)c(C)c1 |w:16.19,TLB:5:6:9.8.13:11,THB:7:8:11:15.6.14,7:6:9.8.13:11,14:6:9:13.12.11,14:12:9:15.7.6,5:6:9:13.12.11|
Show InChI InChI=1S/C23H30BrN3O3/c1-14-5-19(3-4-20(14)24)30-13-22(29)27-26-15(2)6-21(28)25-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-5,16-18H,6-13H2,1-2H3,(H,25,28)(H,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair