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BDBM50356448 CHEMBL1911698

SMILES: O=c1[nH]c(SCc2ccccc2)c2CCc3ccccc3-c2c1C#N

InChI Key: InChIKey=QVUNFYOXAPUVEZ-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 = 50356448   
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))
BDBM50356448
PNG
(CHEMBL1911698)
Show SMILES O=c1[nH]c(SCc2ccccc2)c2CCc3ccccc3-c2c1C#N
Show InChI InChI=1S/C21H16N2OS/c22-12-18-19-16-9-5-4-8-15(16)10-11-17(19)21(23-20(18)24)25-13-14-6-2-1-3-7-14/h1-9H,10-11,13H2,(H,23,24)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356448
PNG
(CHEMBL1911698)
Show SMILES O=c1[nH]c(SCc2ccccc2)c2CCc3ccccc3-c2c1C#N
Show InChI InChI=1S/C21H16N2OS/c22-12-18-19-16-9-5-4-8-15(16)10-11-17(19)21(23-20(18)24)25-13-14-6-2-1-3-7-14/h1-9H,10-11,13H2,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50356448
PNG
(CHEMBL1911698)
Show SMILES O=c1[nH]c(SCc2ccccc2)c2CCc3ccccc3-c2c1C#N
Show InChI InChI=1S/C21H16N2OS/c22-12-18-19-16-9-5-4-8-15(16)10-11-17(19)21(23-20(18)24)25-13-14-6-2-1-3-7-14/h1-9H,10-11,13H2,(H,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 386n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair