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SMILES: O=C(N1CCCC2[C@@H]1CCc1ccccc21)c1ccc2[nH]ncc2c1

InChI Key: InChIKey=KWYKSMXBVKWBOZ-IJHRGXPZSA-N

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 3 hits for monomerid = 99354   
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))
BDBM99354
PNG
(US8497281, 132 | US9120769, 65 | US9663470, 65)
Show SMILES O=C(N1CCCC2[C@@H]1CCc1ccccc21)c1ccc2[nH]ncc2c1 |r|
Show InChI InChI=1S/C21H21N3O/c25-21(15-7-9-19-16(12-15)13-22-23-19)24-11-3-6-18-17-5-2-1-4-14(17)8-10-20(18)24/h1-2,4-5,7,9,12-13,18,20H,3,6,8,10-11H2,(H,22,23)/t18?,20-/m0/s1
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PC sid
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Similars

US Patent
n/an/a 212n/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))
BDBM99354
PNG
(US8497281, 132 | US9120769, 65 | US9663470, 65)
Show SMILES O=C(N1CCCC2[C@@H]1CCc1ccccc21)c1ccc2[nH]ncc2c1 |r|
Show InChI InChI=1S/C21H21N3O/c25-21(15-7-9-19-16(12-15)13-22-23-19)24-11-3-6-18-17-5-2-1-4-14(17)8-10-20(18)24/h1-2,4-5,7,9,12-13,18,20H,3,6,8,10-11H2,(H,22,23)/t18?,20-/m0/s1
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PC sid
UniChem

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US Patent
n/an/a 212n/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))
BDBM99354
PNG
(US8497281, 132 | US9120769, 65 | US9663470, 65)
Show SMILES O=C(N1CCCC2[C@@H]1CCc1ccccc21)c1ccc2[nH]ncc2c1 |r|
Show InChI InChI=1S/C21H21N3O/c25-21(15-7-9-19-16(12-15)13-22-23-19)24-11-3-6-18-17-5-2-1-4-14(17)8-10-20(18)24/h1-2,4-5,7,9,12-13,18,20H,3,6,8,10-11H2,(H,22,23)/t18?,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 212n/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