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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for UniProtKB: P51661   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase type 2


(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 |r,t:18|
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
KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a 82n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.095
BindingDB Entry DOI: 10.7270/Q22F7PGX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Mus musculus (mouse))
BDBM50382822
PNG
(CHEMBL2023587)
Show SMILES CN(C1C2CC3CC(C2)CC1C3)C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1 |TLB:1:2:4:8.6.7,THB:6:5:2:8.7.9,6:7:4.5.11:2,9:7:4:11.10.2,9:10:4:8.6.7,(27.44,-30.3,;27.44,-31.84,;28.77,-32.61,;28.78,-34.1,;27.59,-35.37,;29.08,-34.95,;30.49,-35.52,;31.5,-34.24,;30.1,-34.59,;31.52,-32.71,;30.11,-32.13,;29.07,-33.37,;26.11,-32.61,;26.1,-34.15,;24.77,-31.84,;23.44,-32.61,;22.1,-31.83,;22.11,-30.29,;20.78,-29.52,;19.44,-30.29,;19.44,-31.84,;20.77,-32.61,;18.1,-32.6,;16.77,-31.83,;15.44,-32.61,;14.1,-31.84,;14.1,-30.29,;12.77,-29.52,;15.43,-29.52,;16.77,-30.28,;18.1,-29.51,;17.32,-28.17,;18.86,-28.17,;23.44,-29.52,;24.77,-30.29,)|
Show InChI InChI=1S/C25H33ClN4O4S/c1-28(23-18-9-16-8-17(11-18)12-19(23)10-16)25(32)29-6-4-15(5-7-29)14-30-24(31)27-21-3-2-20(26)13-22(21)35(30,33)34/h2-3,13,15-19,23H,4-12,14H2,1H3,(H,27,31)
KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.095
BindingDB Entry DOI: 10.7270/Q22F7PGX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Mus musculus (mouse))
BDBM50382819
PNG
(CHEMBL2023584)
Show SMILES Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)N(C3CC3)C3CCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C23H31ClN4O4S/c24-17-6-9-20-21(14-17)33(31,32)27(22(29)25-20)15-16-10-12-26(13-11-16)23(30)28(19-7-8-19)18-4-2-1-3-5-18/h6,9,14,16,18-19H,1-5,7-8,10-13,15H2,(H,25,29)
KEGG

UniProtKB/SwissProt

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PC cid
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.095
BindingDB Entry DOI: 10.7270/Q22F7PGX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Mus musculus (mouse))
BDBM50382820
PNG
(CHEMBL2023585)
Show SMILES CN(C1CCCCCC1)C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1
Show InChI InChI=1S/C22H31ClN4O4S/c1-25(18-6-4-2-3-5-7-18)22(29)26-12-10-16(11-13-26)15-27-21(28)24-19-9-8-17(23)14-20(19)32(27,30)31/h8-9,14,16,18H,2-7,10-13,15H2,1H3,(H,24,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.095
BindingDB Entry DOI: 10.7270/Q22F7PGX
More data for this
Ligand-Target Pair