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BDBM50377875 CHEMBL256090

SMILES: Cc1ccc(cc1)C1(CCCCC1)c1nnc2CCCCCCn12

InChI Key: InChIKey=IMHUBBHLFGUOQY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50377875   
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))
BDBM50377875
PNG
(CHEMBL256090)
Show SMILES Cc1ccc(cc1)C1(CCCCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H29N3/c1-17-10-12-18(13-11-17)21(14-6-4-7-15-21)20-23-22-19-9-5-2-3-8-16-24(19)20/h10-13H,2-9,14-16H2,1H3
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 15n/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


(Homo sapiens (human))
BDBM50377875
PNG
(CHEMBL256090)
Show SMILES Cc1ccc(cc1)C1(CCCCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H29N3/c1-17-10-12-18(13-11-17)21(14-6-4-7-15-21)20-23-22-19-9-5-2-3-8-16-24(19)20/h10-13H,2-9,14-16H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 216n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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))
BDBM50377875
PNG
(CHEMBL256090)
Show SMILES Cc1ccc(cc1)C1(CCCCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H29N3/c1-17-10-12-18(13-11-17)21(14-6-4-7-15-21)20-23-22-19-9-5-2-3-8-16-24(19)20/h10-13H,2-9,14-16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 374n/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
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50377875
PNG
(CHEMBL256090)
Show SMILES Cc1ccc(cc1)C1(CCCCC1)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H29N3/c1-17-10-12-18(13-11-17)21(14-6-4-7-15-21)20-23-22-19-9-5-2-3-8-16-24(19)20/h10-13H,2-9,14-16H2,1H3
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