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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 = 'BDBM50195492'   
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))
BDBM50195492
PNG
(3-((2R,4R)-1-(4-amino-3,5-dichlorobenzoyl)-2-methy...)
Show SMILES C[C@@H]1C[C@@H](CCN1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C20H19Cl2N3O3/c1-11-8-13(25-16-4-2-3-5-17(16)28-20(25)27)6-7-24(11)19(26)12-9-14(21)18(23)15(22)10-12/h2-5,9-11,13H,6-8,23H2,1H3/t11-,13-/m1/s1
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13n/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))
BDBM50195492
PNG
(3-((2R,4R)-1-(4-amino-3,5-dichlorobenzoyl)-2-methy...)
Show SMILES C[C@@H]1C[C@@H](CCN1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C20H19Cl2N3O3/c1-11-8-13(25-16-4-2-3-5-17(16)28-20(25)27)6-7-24(11)19(26)12-9-14(21)18(23)15(22)10-12/h2-5,9-11,13H,6-8,23H2,1H3/t11-,13-/m1/s1
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Article
PubMed
140n/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))
BDBM50195492
PNG
(3-((2R,4R)-1-(4-amino-3,5-dichlorobenzoyl)-2-methy...)
Show SMILES C[C@@H]1C[C@@H](CCN1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C20H19Cl2N3O3/c1-11-8-13(25-16-4-2-3-5-17(16)28-20(25)27)6-7-24(11)19(26)12-9-14(21)18(23)15(22)10-12/h2-5,9-11,13H,6-8,23H2,1H3/t11-,13-/m1/s1
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 380n/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