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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 = 'BDBM50356334'   
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))
BDBM50356334
PNG
(CHEMBL1911415)
Show SMILES OC(=O)CC1(CCc2ccccc2)C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,3:4:14.21.15:19.17.18,THB:21:15:4.20.19:18,16:15:4:19.17.18,16:17:4:14.21.15,3:4:18:14.15.16,5:4:14.21.15:19.17.18,(25.04,-5.78,;26.38,-6.56,;27.72,-5.79,;26.37,-8.11,;27.72,-8.89,;26.98,-10.25,;25.43,-10.28,;24.69,-11.63,;23.15,-11.66,;22.41,-13.01,;23.21,-14.33,;24.76,-14.29,;25.49,-12.94,;28.93,-7.61,;30.27,-8.1,;31.67,-7.75,;31.68,-6.21,;30.28,-5.63,;28.92,-6.11,;29.23,-6.87,;29.24,-8.47,;30.65,-9.04,)|
Show InChI InChI=1S/C20H26O2/c21-19(22)13-20(7-6-14-4-2-1-3-5-14)17-9-15-8-16(11-17)12-18(20)10-15/h1-5,15-18H,6-13H2,(H,21,22)
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n/an/a 2.20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD-1


Bioorg Med Chem Lett 21: 6699-704 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356334
PNG
(CHEMBL1911415)
Show SMILES OC(=O)CC1(CCc2ccccc2)C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,3:4:14.21.15:19.17.18,THB:21:15:4.20.19:18,16:15:4:19.17.18,16:17:4:14.21.15,3:4:18:14.15.16,5:4:14.21.15:19.17.18,(25.04,-5.78,;26.38,-6.56,;27.72,-5.79,;26.37,-8.11,;27.72,-8.89,;26.98,-10.25,;25.43,-10.28,;24.69,-11.63,;23.15,-11.66,;22.41,-13.01,;23.21,-14.33,;24.76,-14.29,;25.49,-12.94,;28.93,-7.61,;30.27,-8.1,;31.67,-7.75,;31.68,-6.21,;30.28,-5.63,;28.92,-6.11,;29.23,-6.87,;29.24,-8.47,;30.65,-9.04,)|
Show InChI InChI=1S/C20H26O2/c21-19(22)13-20(7-6-14-4-2-1-3-5-14)17-9-15-8-16(11-17)12-18(20)10-15/h1-5,15-18H,6-13H2,(H,21,22)
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Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD-1


Bioorg Med Chem Lett 21: 6699-704 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV
More data for this
Ligand-Target Pair