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BDBM50277179 CHEMBL4160328

SMILES: O=C(C1CCCCC1)N1CC2C(C1)C1CCC2C=C1

InChI Key: InChIKey=AVIULPKIBHPWHA-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 = 50277179   
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))
BDBM50277179
PNG
(CHEMBL4160328)
Show SMILES O=C(C1CCCCC1)N1CC2C(C1)C1CCC2C=C1 |c:20,THB:9:10:17.18:15.14,12:11:17.18:15.14|
Show InChI InChI=1S/C17H25NO/c19-17(14-4-2-1-3-5-14)18-10-15-12-6-7-13(9-8-12)16(15)11-18/h6-7,12-16H,1-5,8-11H2
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 30n/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))
BDBM50277179
PNG
(CHEMBL4160328)
Show SMILES O=C(C1CCCCC1)N1CC2C(C1)C1CCC2C=C1 |c:20,THB:9:10:17.18:15.14,12:11:17.18:15.14|
Show InChI InChI=1S/C17H25NO/c19-17(14-4-2-1-3-5-14)18-10-15-12-6-7-13(9-8-12)16(15)11-18/h6-7,12-16H,1-5,8-11H2
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