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PubMed code 21093259

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
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))
BDBM50334709
PNG
(3-(3-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1cccc(F)c1)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-2-1-3-16(8-15)31(28,29)25-4-5-30-19(25)18(26)24-17-13-6-12-7-14(17)11-21(9-12,10-13)20(23)27/h1-3,8,12-14,17,19H,4-7,9-11H2,(H2,23,27)(H,24,26)
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n/an/a 4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334704
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-ca...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2
Show InChI InChI=1S/C21H25Cl2N3O4S2/c22-15-2-1-14(7-16(15)23)32(29,30)26-3-4-31-19(26)18(27)25-17-12-5-11-6-13(17)10-21(8-11,9-12)20(24)28/h1-2,7,11-13,17,19H,3-6,8-10H2,(H2,24,28)(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50334705
PNG
(3-Benzenesulfonyl-thiazolidine-2-carboxylic acid(5...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1)C(C3)C2
Show InChI InChI=1S/C21H27N3O4S2/c22-20(26)21-10-13-8-14(11-21)17(15(9-13)12-21)23-18(25)19-24(6-7-29-19)30(27,28)16-4-2-1-3-5-16/h1-5,13-15,17,19H,6-12H2,(H2,22,26)(H,23,25)
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n/an/a 6n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334706
PNG
(3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic a...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C22H29N3O4S2/c1-13-2-4-17(5-3-13)31(28,29)25-6-7-30-20(25)19(26)24-18-15-8-14-9-16(18)12-22(10-14,11-15)21(23)27/h2-5,14-16,18,20H,6-12H2,1H3,(H2,23,27)(H,24,26)
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n/an/a 8n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334701
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-ca...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C20H24Cl2N2O3S2/c21-16-2-1-15(10-17(16)22)29(26,27)24-3-4-28-20(24)19(25)23-18-13-6-11-5-12(8-13)9-14(18)7-11/h1-2,10-14,18,20H,3-9H2,(H,23,25)
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334700
PNG
(3-(4-Chloro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C20H25ClN2O3S2/c21-16-1-3-17(4-2-16)28(25,26)23-5-6-27-20(23)19(24)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h1-4,12-15,18,20H,5-11H2,(H,22,24)
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334694
PNG
(3-Benzenesulfonyl-thiazolidine-2-carboxylic acid a...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H26N2O3S2/c23-19(21-18-15-9-13-8-14(11-15)12-16(18)10-13)20-22(6-7-26-20)27(24,25)17-4-2-1-3-5-17/h1-5,13-16,18,20H,6-12H2,(H,21,23)
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334699
PNG
(3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES Fc1ccccc1S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C20H25FN2O3S2/c21-16-3-1-2-4-17(16)28(25,26)23-5-6-27-20(23)19(24)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h1-4,12-15,18,20H,5-11H2,(H,22,24)
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334714
PNG
((R)-1-(2-Fluoro-benzenesulfonyl)-pyrrolidine-2-car...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C22H28FN3O4S/c23-16-4-1-2-6-18(16)31(29,30)26-7-3-5-17(26)20(27)25-19-14-8-13-9-15(19)12-22(10-13,11-14)21(24)28/h1-2,4,6,13-15,17,19H,3,5,7-12H2,(H2,24,28)(H,25,27)/t13?,14?,15?,17-,19?,22?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334710
PNG
(3-(4-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(F)cc1)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-1-3-16(4-2-15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)
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n/an/a 11n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334709
PNG
(3-(3-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1cccc(F)c1)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-2-1-3-16(8-15)31(28,29)25-4-5-30-19(25)18(26)24-17-13-6-12-7-14(17)11-21(9-12,10-13)20(23)27/h1-3,8,12-14,17,19H,4-7,9-11H2,(H2,23,27)(H,24,26)
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n/an/a 11n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334707
PNG
(3-(4-Methoxy-benzenesulfonyl)-thiazolidine-2-carbo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C22H29N3O5S2/c1-30-16-2-4-17(5-3-16)32(28,29)25-6-7-31-20(25)19(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)21(23)27/h2-5,13-15,18,20H,6-12H2,1H3,(H2,23,27)(H,24,26)
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n/an/a 16n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334695
PNG
(3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic a...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C21H28N2O3S2/c1-13-2-4-18(5-3-13)28(25,26)23-6-7-27-21(23)20(24)22-19-16-9-14-8-15(11-16)12-17(19)10-14/h2-5,14-17,19,21H,6-12H2,1H3,(H,22,24)
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n/an/a 20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334698
PNG
(3-(4-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C20H25FN2O3S2/c21-16-1-3-17(4-2-16)28(25,26)23-5-6-27-20(23)19(24)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h1-4,12-15,18,20H,5-11H2,(H,22,24)
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n/an/a 20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334689
PNG
(3-Benzyl-thiazolidine-2-carboxylic acid adamantan-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1Cc1ccccc1
Show InChI InChI=1S/C21H28N2OS/c24-20(21-23(6-7-25-21)13-14-4-2-1-3-5-14)22-19-17-9-15-8-16(11-17)12-18(19)10-15/h1-5,15-19,21H,6-13H2,(H,22,24)
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n/an/a 20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334713
PNG
((S)-1-(2-Fluoro-benzenesulfonyl)-pyrrolidine-2-car...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C22H28FN3O4S/c23-16-4-1-2-6-18(16)31(29,30)26-7-3-5-17(26)20(27)25-19-14-8-13-9-15(19)12-22(10-13,11-14)21(24)28/h1-2,4,6,13-15,17,19H,3,5,7-12H2,(H2,24,28)(H,25,27)/t13?,14?,15?,17-,19?,22?/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334696
PNG
(3-(4-Methoxy-benzenesulfonyl)-thiazolidine-2-carbo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C21H28N2O4S2/c1-27-17-2-4-18(5-3-17)29(25,26)23-6-7-28-21(23)20(24)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h2-5,13-16,19,21H,6-12H2,1H3,(H,22,24)
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n/an/a 55n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50334707
PNG
(3-(4-Methoxy-benzenesulfonyl)-thiazolidine-2-carbo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C22H29N3O5S2/c1-30-16-2-4-17(5-3-16)32(28,29)25-6-7-31-20(25)19(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)21(23)27/h2-5,13-15,18,20H,6-12H2,1H3,(H2,23,27)(H,24,26)
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n/an/a 57n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334692
PNG
(3-Benzoyl-thiazolidine-2-carboxylic acid adamantan...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1C(=O)c1ccccc1
Show InChI InChI=1S/C21H26N2O2S/c24-19(22-18-16-9-13-8-14(11-16)12-17(18)10-13)21-23(6-7-26-21)20(25)15-4-2-1-3-5-15/h1-5,13-14,16-18,21H,6-12H2,(H,22,24)
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n/an/a 63n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334705
PNG
(3-Benzenesulfonyl-thiazolidine-2-carboxylic acid(5...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1)C(C3)C2
Show InChI InChI=1S/C21H27N3O4S2/c22-20(26)21-10-13-8-14(11-21)17(15(9-13)12-21)23-18(25)19-24(6-7-29-19)30(27,28)16-4-2-1-3-5-16/h1-5,13-15,17,19H,6-12H2,(H2,22,26)(H,23,25)
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n/an/a 67n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50334710
PNG
(3-(4-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(F)cc1)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-1-3-16(4-2-15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)
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n/an/a 76n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334697
PNG
(3-(4-tert-Butyl-benzenesulfonyl)-thiazolidine-2-ca...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C24H34N2O3S2/c1-24(2,3)19-4-6-20(7-5-19)31(28,29)26-8-9-30-23(26)22(27)25-21-17-11-15-10-16(13-17)14-18(21)12-15/h4-7,15-18,21,23H,8-14H2,1-3H3,(H,25,27)
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n/an/a 149n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334703
PNG
(4-{[3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-...)
Show SMILES COC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2
Show InChI InChI=1S/C22H26Cl2N2O5S2/c1-31-21(28)22-9-12-6-13(10-22)18(14(7-12)11-22)25-19(27)20-26(4-5-32-20)33(29,30)15-2-3-16(23)17(24)8-15/h2-3,8,12-14,18,20H,4-7,9-11H2,1H3,(H,25,27)
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n/an/a 170n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50334708
PNG
((E)-3-[(2-Fluorophenyl)sulfonyl]-N-[5-(aminocarbon...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)
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n/an/a 171n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50334708
PNG
((E)-3-[(2-Fluorophenyl)sulfonyl]-N-[5-(aminocarbon...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)
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n/an/a 171n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50247012
PNG
(3beta-O-Succinyl-18-beta-glycyrrhetinic acid | Car...)
Show SMILES CC1(C)[C@H](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)OC(=O)CCC(O)=O
Show InChI InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50247012
PNG
(3beta-O-Succinyl-18-beta-glycyrrhetinic acid | Car...)
Show SMILES CC1(C)[C@H](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)OC(=O)CCC(O)=O
Show InChI InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334691
PNG
(2-(Adamantan-2-ylcarbamoyl)-thiazolidine-3-carboxy...)
Show SMILES CC(C)(C)OC(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C19H30N2O3S/c1-19(2,3)24-18(23)21-4-5-25-17(21)16(22)20-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15,17H,4-10H2,1-3H3,(H,20,22)
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n/an/a 554n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334702
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-ca...)
Show SMILES OC12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2
Show InChI InChI=1S/C20H24Cl2N2O4S2/c21-15-2-1-14(7-16(15)22)30(27,28)24-3-4-29-19(24)18(25)23-17-12-5-11-6-13(17)10-20(26,8-11)9-12/h1-2,7,11-13,17,19,26H,3-6,8-10H2,(H,23,25)
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n/an/a 683n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50334706
PNG
(3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic a...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C22H29N3O4S2/c1-13-2-4-17(5-3-13)31(28,29)25-6-7-30-20(25)19(26)24-18-15-8-14-9-16(18)12-22(10-14,11-15)21(23)27/h2-5,14-16,18,20H,6-12H2,1H3,(H2,23,27)(H,24,26)
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n/an/a 842n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334693
PNG
(CHEMBL1642607 | Thiazolidine-2,3-dicarboxylic acid...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H27N3O2S/c25-19(23-18-15-9-13-8-14(11-15)12-16(18)10-13)20-24(6-7-27-20)21(26)22-17-4-2-1-3-5-17/h1-5,13-16,18,20H,6-12H2,(H,22,26)(H,23,25)
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n/an/a 945n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334712
PNG
((R,E)-3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)[C@H]1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)/t12?,13?,14?,17?,19-,21?/m1/s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334712
PNG
((R,E)-3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)[C@H]1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)/t12?,13?,14?,17?,19-,21?/m1/s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334690
PNG
(CHEMBL1642604 | Thiazolidine-2-carboxylic acid ada...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)C1NCCS1
Show InChI InChI=1S/C14H22N2OS/c17-13(14-15-1-2-18-14)16-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,14-15H,1-7H2,(H,16,17)
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n/an/a 2.13E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334708
PNG
((E)-3-[(2-Fluorophenyl)sulfonyl]-N-[5-(aminocarbon...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)
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n/an/a 7.95E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334708
PNG
((E)-3-[(2-Fluorophenyl)sulfonyl]-N-[5-(aminocarbon...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)
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n/an/a 7.95E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334711
PNG
((S)-3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-ca...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)/t12?,13?,14?,17?,19-,21?/m0/s1
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n/an/a 3.87E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334711
PNG
((S)-3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-ca...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)/t12?,13?,14?,17?,19-,21?/m0/s1
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PubMed
n/an/a 3.87E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%