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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50192797   
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))
BDBM50192797
PNG
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)|
Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1
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n/an/a 10n/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


(Mus musculus (mouse))
BDBM50192797
PNG
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)|
Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1
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n/an/a 11n/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 1


(Homo sapiens (Human))
BDBM50192797
PNG
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)|
Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1
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n/an/a 110n/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 type 2


(Mus musculus (mouse))
BDBM50192797
PNG
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)|
Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1
KEGG

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n/an/a 1.00E+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 type 2


(Homo sapiens (Human))
BDBM50192797
PNG
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)|
Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.10E+4n/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