BindingDB logo
myBDB logout

BDBM50193790 6-((1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy)nicotinonitrile::CHEMBL384650

SMILES: CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O

InChI Key: InChIKey=IIOIWTHGGFXVPM-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50193790   
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 2


(Homo sapiens (human))
BDBM50193790
PNG
(6-((1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-y...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O
Show InChI InChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2


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


(Homo sapiens (human))
BDBM50193790
PNG
(6-((1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-y...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O
Show InChI InChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 51n/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))
BDBM50193790
PNG
(6-((1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-y...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O
Show InChI InChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 62n/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
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50193790
PNG
(6-((1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-y...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O
Show InChI InChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2


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