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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50195487'   
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))
BDBM50195487
PNG
(4-amino-3,5-dichloro-N-cyclopentyl-N-cyclopropylbe...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCC1
Show InChI InChI=1S/C15H18Cl2N2O/c16-12-7-9(8-13(17)14(12)18)15(20)19(11-5-6-11)10-3-1-2-4-10/h7-8,10-11H,1-6,18H2
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Article
PubMed
8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Rattus norvegicus (rat))
BDBM50195487
PNG
(4-amino-3,5-dichloro-N-cyclopentyl-N-cyclopropylbe...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCC1
Show InChI InChI=1S/C15H18Cl2N2O/c16-12-7-9(8-13(17)14(12)18)15(20)19(11-5-6-11)10-3-1-2-4-10/h7-8,10-11H,1-6,18H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50195487
PNG
(4-amino-3,5-dichloro-N-cyclopentyl-N-cyclopropylbe...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCC1
Show InChI InChI=1S/C15H18Cl2N2O/c16-12-7-9(8-13(17)14(12)18)15(20)19(11-5-6-11)10-3-1-2-4-10/h7-8,10-11H,1-6,18H2
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 140n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by fluorescence polarization immuno-assay


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair