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BDBM50277203 CHEMBL4170932

SMILES: O=C(C1CCCCC1)N1CC2C(C1)C1CCC2CC1

InChI Key: InChIKey=CAKDWQKIRMNGHU-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50277203   
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))
BDBM50277203
PNG
(CHEMBL4170932)
Show SMILES O=C(C1CCCCC1)N1CC2C(C1)C1CCC2CC1 |TLB:9:10:15.14:17.18,12:11:15.14:17.18,(11.97,-36.21,;11.94,-34.68,;13.26,-33.89,;14.6,-34.64,;15.91,-33.86,;15.9,-32.32,;14.55,-31.57,;13.23,-32.36,;10.6,-33.93,;9.04,-33.74,;8.64,-32.35,;9.4,-30.93,;9.64,-32.74,;7.7,-30.37,;6.13,-31.11,;5.44,-32.57,;7.11,-31.74,;6.73,-30.35,;7.25,-28.69,)|
Show InChI InChI=1S/C17H27NO/c19-17(14-4-2-1-3-5-14)18-10-15-12-6-7-13(9-8-12)16(15)11-18/h12-16H,1-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using [3H]cortisone as substrate preincubated for 15 mins followed by substrate addition and meas...


Eur J Med Chem 139: 412-428 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.003
BindingDB Entry DOI: 10.7270/Q2JM2D5R
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50277203
PNG
(CHEMBL4170932)
Show SMILES O=C(C1CCCCC1)N1CC2C(C1)C1CCC2CC1 |TLB:9:10:15.14:17.18,12:11:15.14:17.18,(11.97,-36.21,;11.94,-34.68,;13.26,-33.89,;14.6,-34.64,;15.91,-33.86,;15.9,-32.32,;14.55,-31.57,;13.23,-32.36,;10.6,-33.93,;9.04,-33.74,;8.64,-32.35,;9.4,-30.93,;9.64,-32.74,;7.7,-30.37,;6.13,-31.11,;5.44,-32.57,;7.11,-31.74,;6.73,-30.35,;7.25,-28.69,)|
Show InChI InChI=1S/C17H27NO/c19-17(14-4-2-1-3-5-14)18-10-15-12-6-7-13(9-8-12)16(15)11-18/h12-16H,1-11H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human full-length 11beta-HSD2 expressed in HEK293 cells using cortisol as substrate after 2 hrs by LC-MS analysis


Eur J Med Chem 139: 412-428 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.003
BindingDB Entry DOI: 10.7270/Q2JM2D5R
More data for this
Ligand-Target Pair