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BDBM99290 US8497281, 135::US8497281, 68::US9120769, 68::US9663470, 68

SMILES: Oc1ccc(cc1)C(=O)N1CCCC2[C@@H]1CCc1ccccc21

InChI Key: InChIKey=GEBBHLKNKYHIJP-GGYWPGCISA-N

Data: 4 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 4 hits for monomerid = 99290   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM99290
PNG
(US8497281, 135 | US8497281, 68 | US9120769, 68 | U...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCCC2[C@@H]1CCc1ccccc21 |r|
Show InChI InChI=1S/C20H21NO2/c22-16-10-7-15(8-11-16)20(23)21-13-3-6-18-17-5-2-1-4-14(17)9-12-19(18)21/h1-2,4-5,7-8,10-11,18-19,22H,3,6,9,12-13H2/t18?,19-/m0/s1
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US Patent
n/an/a 106n/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))
BDBM99290
PNG
(US8497281, 135 | US8497281, 68 | US9120769, 68 | U...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCCC2[C@@H]1CCc1ccccc21 |r|
Show InChI InChI=1S/C20H21NO2/c22-16-10-7-15(8-11-16)20(23)21-13-3-6-18-17-5-2-1-4-14(17)9-12-19(18)21/h1-2,4-5,7-8,10-11,18-19,22H,3,6,9,12-13H2/t18?,19-/m0/s1
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US Patent
n/an/a 435n/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))
BDBM99290
PNG
(US8497281, 135 | US8497281, 68 | US9120769, 68 | U...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCCC2[C@@H]1CCc1ccccc21 |r|
Show InChI InChI=1S/C20H21NO2/c22-16-10-7-15(8-11-16)20(23)21-13-3-6-18-17-5-2-1-4-14(17)9-12-19(18)21/h1-2,4-5,7-8,10-11,18-19,22H,3,6,9,12-13H2/t18?,19-/m0/s1
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US Patent
n/an/a 435n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM99290
PNG
(US8497281, 135 | US8497281, 68 | US9120769, 68 | U...)
Show SMILES Oc1ccc(cc1)C(=O)N1CCCC2[C@@H]1CCc1ccccc21 |r|
Show InChI InChI=1S/C20H21NO2/c22-16-10-7-15(8-11-16)20(23)21-13-3-6-18-17-5-2-1-4-14(17)9-12-19(18)21/h1-2,4-5,7-8,10-11,18-19,22H,3,6,9,12-13H2/t18?,19-/m0/s1
PDB
MMDB

Reactome pathway
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antibodypedia
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PC sid
UniChem

Similars

US Patent
n/an/a 435n/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