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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50356439'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50356439
PNG
(CHEMBL1911707)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H10ClFN2OS/c18-15-4-2-1-3-10(15)9-23-17-13-7-11(19)5-6-12(13)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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Article
PubMed
n/an/a 2n/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))
BDBM50356439
PNG
(CHEMBL1911707)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H10ClFN2OS/c18-15-4-2-1-3-10(15)9-23-17-13-7-11(19)5-6-12(13)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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Article
PubMed
n/an/a 7n/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 1


(Homo sapiens (Human))
BDBM50356439
PNG
(CHEMBL1911707)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H10ClFN2OS/c18-15-4-2-1-3-10(15)9-23-17-13-7-11(19)5-6-12(13)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
PDB
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Article
PubMed
n/an/a 332n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human HEK cells


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))
BDBM50356439
PNG
(CHEMBL1911707)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H10ClFN2OS/c18-15-4-2-1-3-10(15)9-23-17-13-7-11(19)5-6-12(13)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.25E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in mouse 3T3L1 cells


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