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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase type 2' and Ligand = 'BDBM50306421'   
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 type 2


(Homo sapiens (Human))
BDBM50306421
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24|
Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30)
KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50306421
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24|
Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50306421
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro...)
Show SMILES OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24|
Show InChI InChI=1S/C26H34N2O3/c29-23(30)14-20-15-26(22-4-2-1-3-21(20)22)5-7-28(8-6-26)25(31)27-24-18-10-16-9-17(12-18)13-19(24)11-16/h1-4,16-20,24H,5-15H2,(H,27,31)(H,29,30)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair