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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 = 'BDBM50331363'   
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))
BDBM50331363
PNG
((S)-3'-cyclopropyl-4'-(4-(1,1,1-trifluoro-2-hydrox...)
Show SMILES C[C@](O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1C1CC1)-c1ccc(cc1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C25H20F3NO3S/c1-24(30,25(26,27)28)20-9-11-21(12-10-20)33(31,32)23-13-8-19(14-22(23)18-6-7-18)17-4-2-16(15-29)3-5-17/h2-5,8-14,18,30H,6-7H2,1H3/t24-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 20: 7071-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.097
BindingDB Entry DOI: 10.7270/Q21G0MHX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50331363
PNG
((S)-3'-cyclopropyl-4'-(4-(1,1,1-trifluoro-2-hydrox...)
Show SMILES C[C@](O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1C1CC1)-c1ccc(cc1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C25H20F3NO3S/c1-24(30,25(26,27)28)20-9-11-21(12-10-20)33(31,32)23-13-8-19(14-22(23)18-6-7-18)17-4-2-16(15-29)3-5-17/h2-5,8-14,18,30H,6-7H2,1H3/t24-/m0/s1
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 2.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 transfected in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 7071-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.097
BindingDB Entry DOI: 10.7270/Q21G0MHX
More data for this
Ligand-Target Pair