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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 = 'BDBM50260624'   
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))
BDBM50260624
PNG
(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18ClN3O/c1-23-17(13-3-9-16(24)10-4-13)21-22-18(23)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10,24H,2,11-12H2,1H3
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PC cid
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Article
PubMed
n/an/a 0.340n/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))
BDBM50260624
PNG
(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18ClN3O/c1-23-17(13-3-9-16(24)10-4-13)21-22-18(23)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10,24H,2,11-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 19n/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