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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 = 'BDBM99342'   
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))
BDBM99342
PNG
(US8497281, 120 | US9120769, 53 | US9663470, 53)
Show SMILES COc1cccc2C3CCCN([C@H]3CCc12)C(=O)c1cn(C)c2ccccc12 |r|
Show InChI InChI=1S/C24H26N2O2/c1-25-15-20(18-7-3-4-10-21(18)25)24(27)26-14-6-9-17-16-8-5-11-23(28-2)19(16)12-13-22(17)26/h3-5,7-8,10-11,15,17,22H,6,9,12-14H2,1-2H3/t17?,22-/m0/s1
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Similars

US Patent
n/an/a 979n/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))
BDBM99342
PNG
(US8497281, 120 | US9120769, 53 | US9663470, 53)
Show SMILES COc1cccc2C3CCCN([C@H]3CCc12)C(=O)c1cn(C)c2ccccc12 |r|
Show InChI InChI=1S/C24H26N2O2/c1-25-15-20(18-7-3-4-10-21(18)25)24(27)26-14-6-9-17-16-8-5-11-23(28-2)19(16)12-13-22(17)26/h3-5,7-8,10-11,15,17,22H,6,9,12-14H2,1-2H3/t17?,22-/m0/s1
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PC sid
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US Patent
n/an/a 979n/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))
BDBM99342
PNG
(US8497281, 120 | US9120769, 53 | US9663470, 53)
Show SMILES COc1cccc2C3CCCN([C@H]3CCc12)C(=O)c1cn(C)c2ccccc12 |r|
Show InChI InChI=1S/C24H26N2O2/c1-25-15-20(18-7-3-4-10-21(18)25)24(27)26-14-6-9-17-16-8-5-11-23(28-2)19(16)12-13-22(17)26/h3-5,7-8,10-11,15,17,22H,6,9,12-14H2,1-2H3/t17?,22-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

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US Patent
n/an/a 979n/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