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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50340792'   
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))
BDBM50340792
PNG
(CHEMBL1760683 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4O/c1-14(27)23-18-10-4-15(5-11-18)19-24-25-20(26(19)2)21(12-3-13-21)16-6-8-17(22)9-7-16/h4-11H,3,12-13H2,1-2H3,(H,23,27)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting


Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340792
PNG
(CHEMBL1760683 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4O/c1-14(27)23-18-10-4-15(5-11-18)19-24-25-20(26(19)2)21(12-3-13-21)16-6-8-17(22)9-7-16/h4-11H,3,12-13H2,1-2H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting


Bioorg Med Chem Lett 21: 2141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.125
BindingDB Entry DOI: 10.7270/Q2W37WNN
More data for this
Ligand-Target Pair