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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50112155'   
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))
BDBM50112155
PNG
(CHEMBL3608404)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(O)=O |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)|
Show InChI InChI=1S/C21H27FN2O5S/c1-20(2,24-30(28,29)16-6-4-3-5-15(16)22)18(25)23-17-13-7-12-8-14(17)11-21(9-12,10-13)19(26)27/h3-6,12-14,17,24H,7-11H2,1-2H3,(H,23,25)(H,26,27)/t12?,13?,14?,17-,21?
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112155
PNG
(CHEMBL3608404)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(O)=O |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)|
Show InChI InChI=1S/C21H27FN2O5S/c1-20(2,24-30(28,29)16-6-4-3-5-15(16)22)18(25)23-17-13-7-12-8-14(17)11-21(9-12,10-13)19(26)27/h3-6,12-14,17,24H,7-11H2,1-2H3,(H,23,25)(H,26,27)/t12?,13?,14?,17-,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair