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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50353394'   
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))
BDBM50353394
PNG
(CHEMBL1829767)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H27F2NO3/c1-19(20-3-5-21(6-4-20)22-7-11-24(28)12-8-22)30-17-16-27(15-2-18-31,33-26(30)32)23-9-13-25(29)14-10-23/h3-14,19,31H,2,15-18H2,1H3/t19-,27+/m0/s1
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Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...


J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50353394
PNG
(CHEMBL1829767)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H27F2NO3/c1-19(20-3-5-21(6-4-20)22-7-11-24(28)12-8-22)30-17-16-27(15-2-18-31,33-26(30)32)23-9-13-25(29)14-10-23/h3-14,19,31H,2,15-18H2,1H3/t19-,27+/m0/s1
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Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11 beta-HSD1 in differentiated human adipocytes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 10 mins by HPLC


J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50353394
PNG
(CHEMBL1829767)
Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H27F2NO3/c1-19(20-3-5-21(6-4-20)22-7-11-24(28)12-8-22)30-17-16-27(15-2-18-31,33-26(30)32)23-9-13-25(29)14-10-23/h3-14,19,31H,2,15-18H2,1H3/t19-,27+/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]-cortisone to [3H]-cortisol after 1 hr by scintillation proximi...


J Med Chem 54: 6050-62 (2011)


Article DOI: 10.1021/jm2005354
BindingDB Entry DOI: 10.7270/Q2P26ZH3
More data for this
Ligand-Target Pair