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BDBM50377881 CHEMBL256720

SMILES: Fc1ccccc1C1(CCC1)c1nnc2CCCCCCn12

InChI Key: InChIKey=JHVLIEDMRZFYKF-UHFFFAOYSA-N

Data: 3 IC50

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

Found 3 hits for monomerid = 50377881   
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))
BDBM50377881
PNG
(CHEMBL256720)
Show SMILES Fc1ccccc1C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H22FN3/c19-15-9-5-4-8-14(15)18(11-7-12-18)17-21-20-16-10-3-1-2-6-13-22(16)17/h4-5,8-9H,1-3,6-7,10-13H2
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MMDB

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PC sid
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50377881
PNG
(CHEMBL256720)
Show SMILES Fc1ccccc1C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H22FN3/c19-15-9-5-4-8-14(15)18(11-7-12-18)17-21-20-16-10-3-1-2-6-13-22(16)17/h4-5,8-9H,1-3,6-7,10-13H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD2 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50377881
PNG
(CHEMBL256720)
Show SMILES Fc1ccccc1C1(CCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C18H22FN3/c19-15-9-5-4-8-14(15)18(11-7-12-18)17-21-20-16-10-3-1-2-6-13-22(16)17/h4-5,8-9H,1-3,6-7,10-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3412-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625
More data for this
Ligand-Target Pair