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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 = 'BDBM50195485'   
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


(Rattus norvegicus (rat))
BDBM50195485
PNG
(4-amino-3,5-dichloro-N-cyclohexyl-N-cyclopropylben...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCCC1
Show InChI InChI=1S/C16H20Cl2N2O/c17-13-8-10(9-14(18)15(13)19)16(21)20(12-6-7-12)11-4-2-1-3-5-11/h8-9,11-12H,1-7,19H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30n/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))
BDBM50195485
PNG
(4-amino-3,5-dichloro-N-cyclohexyl-N-cyclopropylben...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCCC1
Show InChI InChI=1S/C16H20Cl2N2O/c17-13-8-10(9-14(18)15(13)19)16(21)20(12-6-7-12)11-4-2-1-3-5-11/h8-9,11-12H,1-7,19H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
14n/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


(Homo sapiens (Human))
BDBM50195485
PNG
(4-amino-3,5-dichloro-N-cyclohexyl-N-cyclopropylben...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCCC1
Show InChI InChI=1S/C16H20Cl2N2O/c17-13-8-10(9-14(18)15(13)19)16(21)20(12-6-7-12)11-4-2-1-3-5-11/h8-9,11-12H,1-7,19H2
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 130n/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