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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 = 'BDBM50340831'   
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


(Mus musculus (mouse))
BDBM50340831
PNG
(2-(3-chloro-4-(5-(1-(4-chlorophenyl)-3-fluorocyclo...)
Show SMILES Cn1c(nnc1C1(CC(F)C1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cnccn1
Show InChI InChI=1S/C23H18Cl2FN5/c1-31-21(18-7-2-14(10-19(18)25)20-13-27-8-9-28-20)29-30-22(31)23(11-17(26)12-23)15-3-5-16(24)6-4-15/h2-10,13,17H,11-12H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340831
PNG
(2-(3-chloro-4-(5-(1-(4-chlorophenyl)-3-fluorocyclo...)
Show SMILES Cn1c(nnc1C1(CC(F)C1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cnccn1
Show InChI InChI=1S/C23H18Cl2FN5/c1-31-21(18-7-2-14(10-19(18)25)20-13-27-8-9-28-20)29-30-22(31)23(11-17(26)12-23)15-3-5-16(24)6-4-15/h2-10,13,17H,11-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.5n/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