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BDBM50192796 CHEMBL219575::N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano-oxazol-2-yl)-adamantan-2-yl]-2-(4-chloro-phenoxy)-2-methyl-propionamide

SMILES: CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1

InChI Key: InChIKey=GTHCHCGWMUMNIC-QYZWLEAQSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50192796   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50192796
PNG
(CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1
Show InChI InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2


Bioorg Med Chem Lett 16: 5414-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50192796
PNG
(CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1
Show InChI InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1
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Article
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n/an/a 146n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5414-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50192796
PNG
(CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1
Show InChI InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1
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n/an/a 306n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5414-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50192796
PNG
(CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1
Show InChI InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1
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PC sid
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n/an/a 205n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli


Bioorg Med Chem Lett 16: 5414-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50192796
PNG
(CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1
Show InChI InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2


Bioorg Med Chem Lett 16: 5414-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0
More data for this
Ligand-Target Pair