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PubMed code 12190302

Compile data set for download or QSAR
Found 9 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


(Homo sapiens (human))
BDBM50117901
PNG
(2-(2-(3-chloro-2-methylphenylsulfonamido)thiazol-4...)
Show SMILES CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C16H20ClN3O3S2/c1-4-20(5-2)15(21)9-12-10-24-16(18-12)19-25(22,23)14-8-6-7-13(17)11(14)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,19)
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PubMed
n/an/a 52n/an/an/an/an/an/a



Biovitrum

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA)


J Med Chem 45: 3813-5 (2002)


Article DOI: 10.1021/jm025530f
BindingDB Entry DOI: 10.7270/Q2S46SPW
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 83n/an/an/an/an/an/a



Biovitrum

Curated by ChEMBL


Assay Description
Ability to convert [3H]cortisol to the tritium labeled cortisone in the presence of human 11 beta hydroxysteroid dehydrogenase type 2


J Med Chem 45: 3813-5 (2002)


Article DOI: 10.1021/jm025530f
BindingDB Entry DOI: 10.7270/Q2S46SPW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50117900
PNG
(3-Chloro-2-methyl-N-{4-[2-(4-methyl-piperazin-1-yl...)
Show SMILES CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C17H21ClN4O3S2/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22/h3-5,11H,6-10H2,1-2H3,(H,19,20)
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n/an/a 96n/an/an/an/an/an/a



Biovitrum

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mouse 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA)


J Med Chem 45: 3813-5 (2002)


Article DOI: 10.1021/jm025530f
BindingDB Entry DOI: 10.7270/Q2S46SPW
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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PubMed
n/an/a 108n/an/an/an/an/an/a



Biovitrum

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mouse 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA).


J Med Chem 45: 3813-5 (2002)


Article DOI: 10.1021/jm025530f
BindingDB Entry DOI: 10.7270/Q2S46SPW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50117901
PNG
(2-(2-(3-chloro-2-methylphenylsulfonamido)thiazol-4...)
Show SMILES CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C16H20ClN3O3S2/c1-4-20(5-2)15(21)9-12-10-24-16(18-12)19-25(22,23)14-8-6-7-13(17)11(14)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,19)
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PubMed
n/an/a 284n/an/an/an/an/an/a



Biovitrum

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mouse 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA).


J Med Chem 45: 3813-5 (2002)


Article DOI: 10.1021/jm025530f
BindingDB Entry DOI: 10.7270/Q2S46SPW
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 330n/an/an/an/an/an/a



Biovitrum

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA)


J Med Chem 45: 3813-5 (2002)


Article DOI: 10.1021/jm025530f
BindingDB Entry DOI: 10.7270/Q2S46SPW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50117900
PNG
(3-Chloro-2-methyl-N-{4-[2-(4-methyl-piperazin-1-yl...)
Show SMILES CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C17H21ClN4O3S2/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22/h3-5,11H,6-10H2,1-2H3,(H,19,20)
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n/an/a 3.34E+3n/an/an/an/an/an/a



Biovitrum

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA)


J Med Chem 45: 3813-5 (2002)


Article DOI: 10.1021/jm025530f
BindingDB Entry DOI: 10.7270/Q2S46SPW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50117901
PNG
(2-(2-(3-chloro-2-methylphenylsulfonamido)thiazol-4...)
Show SMILES CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C16H20ClN3O3S2/c1-4-20(5-2)15(21)9-12-10-24-16(18-12)19-25(22,23)14-8-6-7-13(17)11(14)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum

Curated by ChEMBL


Assay Description
Ability to convert [3H]cortisol to the tritium labeled cortisone in the presence of human 11 beta hydroxysteroid dehydrogenase type 2


J Med Chem 45: 3813-5 (2002)


Article DOI: 10.1021/jm025530f
BindingDB Entry DOI: 10.7270/Q2S46SPW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50117900
PNG
(3-Chloro-2-methyl-N-{4-[2-(4-methyl-piperazin-1-yl...)
Show SMILES CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C17H21ClN4O3S2/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22/h3-5,11H,6-10H2,1-2H3,(H,19,20)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum

Curated by ChEMBL


Assay Description
Ability to convert [3H]cortisol to the tritium labeled cortisone in the presence of human 11 beta hydroxysteroid dehydrogenase type 2


J Med Chem 45: 3813-5 (2002)


Article DOI: 10.1021/jm025530f
BindingDB Entry DOI: 10.7270/Q2S46SPW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%