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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 = 'BDBM50260964'   
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))
BDBM50260964
PNG
(3-(2-chloro-4-(2-methyl-1H-imidazol-1-yl)phenyl)-5...)
Show SMILES Cc1nccn1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C23H21Cl2N5/c1-15-26-12-13-30(15)18-8-9-19(20(25)14-18)21-27-28-22(29(21)2)23(10-3-11-23)16-4-6-17(24)7-5-16/h4-9,12-14H,3,10-11H2,1-2H3
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PC cid
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Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50260964
PNG
(3-(2-chloro-4-(2-methyl-1H-imidazol-1-yl)phenyl)-5...)
Show SMILES Cc1nccn1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C23H21Cl2N5/c1-15-26-12-13-30(15)18-8-9-19(20(25)14-18)21-27-28-22(29(21)2)23(10-3-11-23)16-4-6-17(24)7-5-16/h4-9,12-14H,3,10-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair