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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 99436   
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))
BDBM99436
PNG
(US8497281, 147 | US9120769, 147 | US9663470, 147)
Show SMILES O=C(N1CCCC2[C@@H]1Cc1ccccc21)c1ccc2[nH]c(=O)cnc2c1 |r|
Show InChI InChI=1S/C21H19N3O2/c25-20-12-22-18-10-14(7-8-17(18)23-20)21(26)24-9-3-6-16-15-5-2-1-4-13(15)11-19(16)24/h1-2,4-5,7-8,10,12,16,19H,3,6,9,11H2,(H,23,25)/t16?,19-/m0/s1
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PC sid
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US Patent
n/an/a 1.74E+3n/an/an/an/a6.037



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international...


US Patent US8497281 (2013)


BindingDB Entry DOI: 10.7270/Q2G44NXT
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM99436
PNG
(US8497281, 147 | US9120769, 147 | US9663470, 147)
Show SMILES O=C(N1CCCC2[C@@H]1Cc1ccccc21)c1ccc2[nH]c(=O)cnc2c1 |r|
Show InChI InChI=1S/C21H19N3O2/c25-20-12-22-18-10-14(7-8-17(18)23-20)21(26)24-9-3-6-16-15-5-2-1-4-13(15)11-19(16)24/h1-2,4-5,7-8,10,12,16,19H,3,6,9,11H2,(H,23,25)/t16?,19-/m0/s1
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US Patent
n/an/a 1.74E+3n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International Gmbh

US Patent


Assay Description
In vitro inhibition of 11β-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluorescence) technology (cisbio internatio...


US Patent US9663470 (2017)


BindingDB Entry DOI: 10.7270/Q2V40X8H
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM99436
PNG
(US8497281, 147 | US9120769, 147 | US9663470, 147)
Show SMILES O=C(N1CCCC2[C@@H]1Cc1ccccc21)c1ccc2[nH]c(=O)cnc2c1 |r|
Show InChI InChI=1S/C21H19N3O2/c25-20-12-22-18-10-14(7-8-17(18)23-20)21(26)24-9-3-6-16-15-5-2-1-4-13(15)11-19(16)24/h1-2,4-5,7-8,10,12,16,19H,3,6,9,11H2,(H,23,25)/t16?,19-/m0/s1
PDB
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antibodypedia
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PC cid
PC sid
UniChem

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US Patent
n/an/a 1.74E+3n/an/an/an/a6.0n/a



Boehringer-Ingelheim International GmbH

US Patent


Assay Description
n vitro inhibition of 11β-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluorescence) technology (cisbio internation...


US Patent US9120769 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HK9
More data for this
Ligand-Target Pair