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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 = 'BDBM50112150'   
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))
BDBM50112150
PNG
(CHEMBL3608399)
Show SMILES CC(C)(NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:19.19,TLB:23:24:28:27.21.22,23:22:28:19.24.25,19:20:27:24.23.25,THB:18:19:28:27.21.22,19:24:27:28.21.20,(-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,;-11.93,1.96,;-12.96,-.21,;-14.11,.25,;-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/C21H26F3N3O4S/c1-20(2,27-32(30,31)16-6-14(23)13(22)5-15(16)24)19(29)26-17-11-3-10-4-12(17)9-21(7-10,8-11)18(25)28/h5-6,10-12,17,27H,3-4,7-9H2,1-2H3,(H2,25,28)(H,26,29)/t10?,11?,12?,17-,21?
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PC cid
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Article
PubMed
n/an/a 14n/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
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112150
PNG
(CHEMBL3608399)
Show SMILES CC(C)(NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:19.19,TLB:23:24:28:27.21.22,23:22:28:19.24.25,19:20:27:24.23.25,THB:18:19:28:27.21.22,19:24:27:28.21.20,(-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,;-11.93,1.96,;-12.96,-.21,;-14.11,.25,;-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/C21H26F3N3O4S/c1-20(2,27-32(30,31)16-6-14(23)13(22)5-15(16)24)19(29)26-17-11-3-10-4-12(17)9-21(7-10,8-11)18(25)28/h5-6,10-12,17,27H,3-4,7-9H2,1-2H3,(H2,25,28)(H,26,29)/t10?,11?,12?,17-,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 207n/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