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BDBM99409 US8497281, 187::US9120769, 120::US9663470, 120

SMILES: Cc1cc(ccc1O)C(=O)N1CCCC2[C@@H]1Cc1ccccc21

InChI Key: InChIKey=JLJOKSYZTJSXSE-ZVAWYAOSSA-N

Data: 3 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 3 hits for monomerid = 99409   
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))
BDBM99409
PNG
(US8497281, 187 | US9120769, 120 | US9663470, 120)
Show SMILES Cc1cc(ccc1O)C(=O)N1CCCC2[C@@H]1Cc1ccccc21 |r|
Show InChI InChI=1S/C20H21NO2/c1-13-11-15(8-9-19(13)22)20(23)21-10-4-7-17-16-6-3-2-5-14(16)12-18(17)21/h2-3,5-6,8-9,11,17-18,22H,4,7,10,12H2,1H3/t17?,18-/m0/s1
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PC sid
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Similars

US Patent
n/an/a 383n/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))
BDBM99409
PNG
(US8497281, 187 | US9120769, 120 | US9663470, 120)
Show SMILES Cc1cc(ccc1O)C(=O)N1CCCC2[C@@H]1Cc1ccccc21 |r|
Show InChI InChI=1S/C20H21NO2/c1-13-11-15(8-9-19(13)22)20(23)21-10-4-7-17-16-6-3-2-5-14(16)12-18(17)21/h2-3,5-6,8-9,11,17-18,22H,4,7,10,12H2,1H3/t17?,18-/m0/s1
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PC sid
UniChem

Similars

US Patent
n/an/a 383n/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))
BDBM99409
PNG
(US8497281, 187 | US9120769, 120 | US9663470, 120)
Show SMILES Cc1cc(ccc1O)C(=O)N1CCCC2[C@@H]1Cc1ccccc21 |r|
Show InChI InChI=1S/C20H21NO2/c1-13-11-15(8-9-19(13)22)20(23)21-10-4-7-17-16-6-3-2-5-14(16)12-18(17)21/h2-3,5-6,8-9,11,17-18,22H,4,7,10,12H2,1H3/t17?,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 383n/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