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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase type 2' and Ligand = 'BDBM50192800'   
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))
BDBM50192800
PNG
(2-(4-chloro-phenoxy)-N-((1R,2S,5S,7S)-5-isoxazol-5...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ccno1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.78,-5.8,;24.46,-6.58,;23.13,-5.81,;25.78,-7.37,;27.13,-6.61,;28.45,-7.41,;29.79,-6.65,;29.81,-5.11,;31.15,-4.35,;28.47,-4.33,;27.14,-5.08,;23.12,-7.34,;23.1,-8.88,;21.79,-6.55,;20.51,-7.4,;20.5,-8.93,;19.48,-10.21,;18.08,-9.64,;18.07,-8.06,;19.11,-6.82,;17.76,-7.3,;17.77,-8.79,;16.58,-10.06,;19.1,-9.28,;16.43,-8.01,;15.02,-8.64,;13.98,-7.49,;14.76,-6.15,;16.27,-6.48,)|
Show InChI InChI=1S/C23H27ClN2O3/c1-22(2,28-18-5-3-17(24)4-6-18)21(27)26-20-15-9-14-10-16(20)13-23(11-14,12-15)19-7-8-25-29-19/h3-8,14-16,20H,9-13H2,1-2H3,(H,26,27)/t14-,15-,16?,20+,23+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2


Bioorg Med Chem Lett 16: 5414-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Mus musculus (mouse))
BDBM50192800
PNG
(2-(4-chloro-phenoxy)-N-((1R,2S,5S,7S)-5-isoxazol-5...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ccno1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.78,-5.8,;24.46,-6.58,;23.13,-5.81,;25.78,-7.37,;27.13,-6.61,;28.45,-7.41,;29.79,-6.65,;29.81,-5.11,;31.15,-4.35,;28.47,-4.33,;27.14,-5.08,;23.12,-7.34,;23.1,-8.88,;21.79,-6.55,;20.51,-7.4,;20.5,-8.93,;19.48,-10.21,;18.08,-9.64,;18.07,-8.06,;19.11,-6.82,;17.76,-7.3,;17.77,-8.79,;16.58,-10.06,;19.1,-9.28,;16.43,-8.01,;15.02,-8.64,;13.98,-7.49,;14.76,-6.15,;16.27,-6.48,)|
Show InChI InChI=1S/C23H27ClN2O3/c1-22(2,28-18-5-3-17(24)4-6-18)21(27)26-20-15-9-14-10-16(20)13-23(11-14,12-15)19-7-8-25-29-19/h3-8,14-16,20H,9-13H2,1-2H3,(H,26,27)/t14-,15-,16?,20+,23+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2


Bioorg Med Chem Lett 16: 5414-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0
More data for this
Ligand-Target Pair