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Compile Data Set for Download or QSAR

Found 1060 hits of ic50 data for polymerid = 1408   
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))
BDBM50313286
PNG
((1S,4S)-2-methyl-5-(4-neopentylphenylsulfonyl)-2,5...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(CC(C)(C)C)cc1
Show InChI InChI=1S/C17H26N2O2S/c1-17(2,3)10-13-5-7-16(8-6-13)22(20,21)19-12-14-9-15(19)11-18(14)4/h5-8,14-15H,9-12H2,1-4H3/t14-,15-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313285
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O2S/c1-16(2,3)12-5-7-15(8-6-12)21(19,20)18-11-13-9-14(18)10-17(13)4/h5-8,13-14H,9-11H2,1-4H3/t13-,14-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340800
PNG
(3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES COc1cc(ccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1)-c1cccnc1
Show InChI InChI=1S/C25H23ClN4O/c1-30-23(21-11-6-17(15-22(21)31-2)18-5-3-14-27-16-18)28-29-24(30)25(12-4-13-25)19-7-9-20(26)10-8-19/h3,5-11,14-16H,4,12-13H2,1-2H3
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n/an/a 0.75n/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


(Mus musculus (mouse))
BDBM50260967
PNG
(3-(2-chloro-4-(2-(trifluoromethyl)-1H-imidazol-1-y...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1C(F)(F)F
Show InChI InChI=1S/C23H18Cl2F3N5/c1-32-19(30-31-20(32)22(9-2-10-22)14-3-5-15(24)6-4-14)17-8-7-16(13-18(17)25)33-12-11-29-21(33)23(26,27)28/h3-8,11-13H,2,9-10H2,1H3
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n/an/a 0.960n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50261050
PNG
(3-(3-Chloro-3'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)22-7-4-6-18(16-22)19-8-13-23(24(29)17-19)25-30-31-26(32(25)2)27(14-5-15-27)20-9-11-21(28)12-10-20/h4,6-13,16-17H,3,5,14-15H2,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260939
PNG
(3-(3-Chloro-3'-methanesulfonyl-biphenyl-4-yl)-5-[1...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C26H23Cl2N3O2S/c1-31-24(29-30-25(31)26(13-4-14-26)19-8-10-20(27)11-9-19)22-12-7-18(16-23(22)28)17-5-3-6-21(15-17)34(2,32)33/h3,5-12,15-16H,4,13-14H2,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50261009
PNG
(3-(3-Chloro-4'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)22-12-5-18(6-13-22)19-7-14-23(24(29)17-19)25-30-31-26(32(25)2)27(15-4-16-27)20-8-10-21(28)11-9-20/h5-14,17H,3-4,15-16H2,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384519
PNG
(CHEMBL2036239)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31)/t13?,14?,15?,20-,23-
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340380
PNG
(CHEMBL1761310 | N-((4-(4-methyl-5-(2-(trifluoromet...)
Show SMILES CCCS(=O)(=O)NCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C22H29F3N4O2S/c1-3-14-32(30,31)26-15-20-8-11-21(12-9-20,13-10-20)19-28-27-18(29(19)2)16-6-4-5-7-17(16)22(23,24)25/h4-7,26H,3,8-15H2,1-2H3
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n/an/a 1n/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


(Mus musculus (mouse))
BDBM50313310
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclopent...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CCCC1
Show InChI InChI=1S/C20H30N2O2S/c1-20(2,3)15-8-10-19(11-9-15)25(23,24)22-14-17-12-18(22)13-21(17)16-6-4-5-7-16/h8-11,16-18H,4-7,12-14H2,1-3H3/t17-,18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340830
PNG
(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-met...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)C(N)=O
Show InChI InChI=1S/C20H18Cl2N4O/c1-26-18(15-8-3-12(17(23)27)11-16(15)22)24-25-19(26)20(9-2-10-20)13-4-6-14(21)7-5-13/h3-8,11H,2,9-10H2,1H3,(H2,23,27)
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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


(Mus musculus (mouse))
BDBM50340803
PNG
(2-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1OC(F)F)-c1cnccn1
Show InChI InChI=1S/C24H20ClF2N5O/c1-32-21(30-31-22(32)24(9-2-10-24)16-4-6-17(25)7-5-16)18-8-3-15(13-20(18)33-23(26)27)19-14-28-11-12-29-19/h3-8,11-14,23H,2,9-10H2,1H3
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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


(Mus musculus (mouse))
BDBM50340801
PNG
(2-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1O)-c1cccnc1
Show InChI InChI=1S/C24H21ClN4O/c1-29-22(20-10-5-16(14-21(20)30)17-4-2-13-26-15-17)27-28-23(29)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15,30H,3,11-12H2,1H3
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n/an/a 1n/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


(Mus musculus (mouse))
BDBM50340794
PNG
(CHEMBL1760685 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H21ClN4OS/c1-29-21(16-5-11-19(12-6-16)26-22(30)20-4-2-15-31-20)27-28-23(29)24(13-3-14-24)17-7-9-18(25)10-8-17/h2,4-12,15H,3,13-14H2,1H3,(H,26,30)
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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


(Mus musculus (mouse))
BDBM50433406
PNG
(CHEMBL2380643)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12
Show InChI InChI=1S/C30H39N5O4S/c1-40(38,39)33-12-10-32(11-13-33)24-6-8-25(9-7-24)34-14-15-35(27-5-3-2-4-26(27)34)29(36)31-28-22-16-21-17-23(28)20-30(37,18-21)19-22/h2-9,21-23,28,37H,10-20H2,1H3,(H,31,36)/t21?,22?,23?,28-,30-
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 23: 2414-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50433404
PNG
(CHEMBL2380641)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cnc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12
Show InChI InChI=1S/C28H37N7O4S/c1-40(38,39)33-8-6-32(7-9-33)22-17-29-26(30-18-22)34-10-11-35(24-5-3-2-4-23(24)34)27(36)31-25-20-12-19-13-21(25)16-28(37,14-19)15-20/h2-5,17-21,25,37H,6-16H2,1H3,(H,31,36)/t19?,20?,21?,25-,28-
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 23: 2414-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340819
PNG
(6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(N)nn1
Show InChI InChI=1S/C23H21ClN6/c1-30-21(16-5-3-15(4-6-16)19-11-12-20(25)27-26-19)28-29-22(30)23(13-2-14-23)17-7-9-18(24)10-8-17/h3-12H,2,13-14H2,1H3,(H2,25,27)
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n/an/a 1.10n/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


(Mus musculus (mouse))
BDBM50377736
PNG
(CHEMBL403898)
Show SMILES Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H15ClN4/c1-22-11-10-12-13(7-5-9-16(12)22)17-20-21-18(23(17)2)14-6-3-4-8-15(14)19/h3-11H,1-2H3
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50261010
PNG
(3-(3-Chloro-2'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...)
Show SMILES CCS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)24-8-5-4-7-21(24)18-9-14-22(23(29)17-18)25-30-31-26(32(25)2)27(15-6-16-27)19-10-12-20(28)13-11-19/h4-5,7-14,17H,3,6,15-16H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260937
PNG
(3-(3-Chloro-4'-methanesulfonyl-biphenyl-4-yl)-5-[1...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H23Cl2N3O2S/c1-31-24(29-30-25(31)26(14-3-15-26)19-7-9-20(27)10-8-19)22-13-6-18(16-23(22)28)17-4-11-21(12-5-17)34(2,32)33/h4-13,16H,3,14-15H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260908
PNG
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377735
PNG
(CHEMBL257779)
Show SMILES Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H15F3N4/c1-25-11-10-12-13(7-5-9-16(12)25)17-23-24-18(26(17)2)14-6-3-4-8-15(14)19(20,21)22/h3-11H,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340394
PNG
(5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,...)
Show SMILES CC(=O)CCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C23H28F3N3O/c1-16(30)6-5-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-3-4-8-18(17)23(24,25)26/h3-4,7-8H,5-6,9-15H2,1-2H3
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n/an/a 1.30n/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


(Mus musculus (mouse))
BDBM50392924
PNG
(CHEMBL2152223)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,23-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260908
PNG
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/a 1.30n/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


(Mus musculus (mouse))
BDBM50260936
PNG
(2-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccn1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(19-11-6-16(15-20(19)26)21-5-2-3-14-27-21)28-29-23(30)24(12-4-13-24)17-7-9-18(25)10-8-17/h2-3,5-11,14-15H,4,12-13H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260880
PNG
(3-(3-Chloro-biphenyl-4-yl)-5-[1-(4-chloro-phenyl)-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccc1
Show InChI InChI=1S/C25H21Cl2N3/c1-30-23(21-13-8-18(16-22(21)27)17-6-3-2-4-7-17)28-29-24(30)25(14-5-15-25)19-9-11-20(26)12-10-19/h2-4,6-13,16H,5,14-15H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340389
PNG
(3-(4-((4-chlorophenoxy)methyl)bicyclo[2.2.2]octan-...)
Show SMILES Cn1c(nnc1C12CCC(COc3ccc(Cl)cc3)(CC1)CC2)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H25ClF3N3O/c1-32-21(19-4-2-3-5-20(19)25(27,28)29)30-31-22(32)24-13-10-23(11-14-24,12-15-24)16-33-18-8-6-17(26)7-9-18/h2-9H,10-16H2,1H3
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n/an/a 1.5n/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


(Mus musculus (mouse))
BDBM50340392
PNG
(4-methyl-3-(4-(2-(2,2,2-trifluoroethylsulfonyl)eth...)
Show SMILES Cn1c(nnc1C12CCC(CCS(=O)(=O)CC(F)(F)F)(CC1)CC2)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H25F6N3O2S/c1-31-17(15-4-2-3-5-16(15)22(26,27)28)29-30-18(31)20-9-6-19(7-10-20,8-11-20)12-13-34(32,33)14-21(23,24)25/h2-5H,6-14H2,1H3
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n/an/a 1.5n/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


(Mus musculus (mouse))
BDBM50340818
PNG
(3-chloro-6-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(Cl)nn1
Show InChI InChI=1S/C23H19Cl2N5/c1-30-21(16-5-3-15(4-6-16)19-11-12-20(25)27-26-19)28-29-22(30)23(13-2-14-23)17-7-9-18(24)10-8-17/h3-12H,2,13-14H2,1H3
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n/an/a 1.5n/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


(Mus musculus (mouse))
BDBM50174288
PNG
(3-(4-(5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)bic...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nnc([nH]1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H24F4N6/c1-36-21(18-4-2-3-5-19(18)26(28,29)30)33-35-23(36)25-13-10-24(11-14-25,12-15-25)22-31-20(32-34-22)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3,(H,31,32,34)
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n/an/a 1.60n/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


(Mus musculus (mouse))
BDBM50340799
PNG
(3-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C24H20ClFN4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3
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n/an/a 1.60n/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


(Mus musculus (mouse))
BDBM50340373
PNG
(4-methyl-3-(4-(2-(phenylsulfonyl)ethyl)bicyclo[2.2...)
Show SMILES Cn1c(nnc1C12CCC(CCS(=O)(=O)c3ccccc3)(CC1)CC2)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2S/c1-32-22(20-9-5-6-10-21(20)26(27,28)29)30-31-23(32)25-14-11-24(12-15-25,13-16-25)17-18-35(33,34)19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
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n/an/a 1.60n/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


(Mus musculus (mouse))
BDBM50340396
PNG
(5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,...)
Show SMILES CC(O)CCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C23H30F3N3O/c1-16(30)6-5-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-3-4-8-18(17)23(24,25)26/h3-4,7-8,16,30H,5-6,9-15H2,1-2H3
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n/an/a 1.70n/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


(Mus musculus (mouse))
BDBM50340802
PNG
(2-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cnccn1
Show InChI InChI=1S/C23H19ClFN5/c1-30-21(18-8-3-15(13-19(18)25)20-14-26-11-12-27-20)28-29-22(30)23(9-2-10-23)16-4-6-17(24)7-5-16/h3-8,11-14H,2,9-10H2,1H3
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n/an/a 1.70n/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


(Mus musculus (mouse))
BDBM50066892
PNG
(CHEMBL3401681)
Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H36N4O4S/c1-18-17-31(22-6-8-23(9-7-22)37(2,35)36)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay


Bioorg Med Chem Lett 25: 1679-83 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50174284
PNG
(4-methyl-3-(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O3S/c1-35-22(19-5-3-4-6-20(19)27(28,29)30)32-33-23(35)25-11-14-26(15-12-25,16-13-25)24-31-21(34-38-24)17-7-9-18(10-8-17)39(2,36)37/h3-10H,11-16H2,1-2H3
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n/an/a 1.80n/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


(Mus musculus (mouse))
BDBM50340376
PNG
(3-(4-(2-(4-fluorophenylsulfonyl)ethyl)bicyclo[2.2....)
Show SMILES Cn1c(nnc1C12CCC(CCS(=O)(=O)c3ccc(F)cc3)(CC1)CC2)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H27F4N3O2S/c1-33-22(20-4-2-3-5-21(20)26(28,29)30)31-32-23(33)25-13-10-24(11-14-25,12-15-25)16-17-36(34,35)19-8-6-18(27)7-9-19/h2-9H,10-17H2,1H3
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n/an/a 1.80n/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


(Mus musculus (mouse))
BDBM50340402
PNG
(3-(4-(4-(ethylsulfonyl)butyl)bicyclo[2.2.2]octan-1...)
Show SMILES CCS(=O)(=O)CCCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C24H32F3N3O2S/c1-3-33(31,32)17-7-6-10-22-11-14-23(15-12-22,16-13-22)21-29-28-20(30(21)2)18-8-4-5-9-19(18)24(25,26)27/h4-5,8-9H,3,6-7,10-17H2,1-2H3
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n/an/a 1.80n/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


(Mus musculus (mouse))
BDBM50260825
PNG
(3-(4-tert-butylphenyl)-5-(1-(4-chlorophenyl)cyclob...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H26ClN3/c1-22(2,3)17-8-6-16(7-9-17)20-25-26-21(27(20)4)23(14-5-15-23)18-10-12-19(24)13-11-18/h6-13H,5,14-15H2,1-4H3
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377724
PNG
(CHEMBL401883)
Show SMILES COc1c(ccc2ccc(Cl)cc12)-c1nnc(-c2ccccc2S(C)(=O)=O)n1C
Show InChI InChI=1S/C21H18ClN3O3S/c1-25-20(15-6-4-5-7-18(15)29(3,26)27)23-24-21(25)16-11-9-13-8-10-14(22)12-17(13)19(16)28-2/h4-12H,1-3H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 2799-804 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50174298
PNG
(3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3
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n/an/a 1.90n/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


(Mus musculus (mouse))
BDBM50340808
PNG
(CHEMBL1760690 | N-(3-chloro-4-(5-(1-(4-chloropheny...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cnccn2)cc1Cl
Show InChI InChI=1S/C24H20Cl2N6O/c1-32-21(30-31-23(32)24(9-2-10-24)15-3-5-16(25)6-4-15)18-8-7-17(13-19(18)26)29-22(33)20-14-27-11-12-28-20/h3-8,11-14H,2,9-10H2,1H3,(H,29,33)
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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


(Mus musculus (mouse))
BDBM50384520
PNG
(CHEMBL2036232)
Show SMILES CN(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C21H27Cl3N4O4S/c1-27(33(31,32)28(2)19-15(23)5-14(22)6-16(19)24)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H2,25,30)(H,26,29)/t11?,12?,13?,18-,21-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384522
PNG
(CHEMBL2036234)
Show SMILES CC1CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)/t12?,13?,14?,15?,20-,23-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384522
PNG
(CHEMBL2036234)
Show SMILES CC1CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)/t12?,13?,14?,15?,20-,23-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair
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
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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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cell microsomes assessed as inhibition of [3H]cortisone conversion to [3H]cortisol by scintillati...


Eur J Med Chem 65: 403-14 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.010
BindingDB Entry DOI: 10.7270/Q2JS9RV7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50193786
PNG
(4-[4-(5-cyano-pyridin-2-yloxymethyl)-3,3-dimethyl-...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O
Show InChI InChI=1S/C24H30N4O3/c1-23(2)18(13-31-19-4-3-14(10-25)11-27-19)12-28(22(23)30)20-16-5-15-6-17(20)9-24(7-15,8-16)21(26)29/h3-4,11,15-18,20H,5-9,12-13H2,1-2H3,(H2,26,29)/t15?,16?,17?,18?,20-,24-
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50174283
PNG
(3-(4-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(Cl)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H23ClF3N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3
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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


(Mus musculus (mouse))
BDBM50260910
PNG
(4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1
Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-8-3-17(15-21(20)26)16-9-13-27-14-10-16)28-29-23(30)24(11-2-12-24)18-4-6-19(25)7-5-18/h3-10,13-15H,2,11-12H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
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