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BDBM50193793 6-(((3R,4R)-1-cycloheptyl-4-methyl-5-oxopyrrolidin-3-yl)methoxy)nicotinonitrile::CHEMBL220748

SMILES: C[C@@H]1[C@@H](COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O

InChI Key: InChIKey=IBXCUSPLUKIYBX-GDBMZVCRSA-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 = 50193793   
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))
BDBM50193793
PNG
(6-(((3R,4R)-1-cycloheptyl-4-methyl-5-oxopyrrolidin...)
Show SMILES C[C@@H]1[C@@H](COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O
Show InChI InChI=1S/C19H25N3O2/c1-14-16(13-24-18-9-8-15(10-20)11-21-18)12-22(19(14)23)17-6-4-2-3-5-7-17/h8-9,11,14,16-17H,2-7,12-13H2,1H3/t14-,16-/m1/s1
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MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50193793
PNG
(6-(((3R,4R)-1-cycloheptyl-4-methyl-5-oxopyrrolidin...)
Show SMILES C[C@@H]1[C@@H](COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O
Show InChI InChI=1S/C19H25N3O2/c1-14-16(13-24-18-9-8-15(10-20)11-21-18)12-22(19(14)23)17-6-4-2-3-5-7-17/h8-9,11,14,16-17H,2-7,12-13H2,1H3/t14-,16-/m1/s1
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 75n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair