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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 = 'BDBM50174282'   
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


(Mus musculus (mouse))
BDBM50174282
PNG
(3-(4-(4-(4-fluorophenyl)-1H-imidazol-2-yl)bicyclo[...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(c[nH]1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H25F4N5/c1-36-22(19-4-2-3-5-20(19)27(29,30)31)34-35-24(36)26-13-10-25(11-14-26,12-15-26)23-32-16-21(33-23)17-6-8-18(28)9-7-17/h2-9,16H,10-15H2,1H3,(H,32,33)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse 11beta-HSD1


Bioorg Med Chem Lett 15: 5266-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50174282
PNG
(3-(4-(4-(4-fluorophenyl)-1H-imidazol-2-yl)bicyclo[...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(c[nH]1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H25F4N5/c1-36-22(19-4-2-3-5-20(19)27(29,30)31)34-35-24(36)26-13-10-25(11-14-26,12-15-26)23-32-16-21(33-23)17-6-8-18(28)9-7-17/h2-9,16H,10-15H2,1H3,(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against human 11beta-HSD1


Bioorg Med Chem Lett 15: 5266-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M
More data for this
Ligand-Target Pair