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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 = 'BDBM50195484'   
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))
BDBM50195484
PNG
(1-((2R,6R)-1-(4-amino-3,5-dichlorobenzoyl)-2,6-dim...)
Show SMILES C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)N1CCNC1=O
Show InChI InChI=1S/C17H22Cl2N4O2/c1-9-5-12(22-4-3-21-17(22)25)6-10(2)23(9)16(24)11-7-13(18)15(20)14(19)8-11/h7-10,12H,3-6,20H2,1-2H3,(H,21,25)/t9-,10-/m1/s1
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22n/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))
BDBM50195484
PNG
(1-((2R,6R)-1-(4-amino-3,5-dichlorobenzoyl)-2,6-dim...)
Show SMILES C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)N1CCNC1=O
Show InChI InChI=1S/C17H22Cl2N4O2/c1-9-5-12(22-4-3-21-17(22)25)6-10(2)23(9)16(24)11-7-13(18)15(20)14(19)8-11/h7-10,12H,3-6,20H2,1-2H3,(H,21,25)/t9-,10-/m1/s1
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PC sid
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PubMed
39n/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))
BDBM50195484
PNG
(1-((2R,6R)-1-(4-amino-3,5-dichlorobenzoyl)-2,6-dim...)
Show SMILES C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)N1CCNC1=O
Show InChI InChI=1S/C17H22Cl2N4O2/c1-9-5-12(22-4-3-21-17(22)25)6-10(2)23(9)16(24)11-7-13(18)15(20)14(19)8-11/h7-10,12H,3-6,20H2,1-2H3,(H,21,25)/t9-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 76n/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