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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 = 'BDBM50016983'   
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))
BDBM50016983
PNG
(CHEMBL3220543)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(SC)n1 |r,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C23H29N3O3S/c1-30-21-15(2-3-18(24-21)26-10-16-17(11-26)19(16)22(28)29)20(27)25-23-7-12-4-13(8-23)6-14(5-12)9-23/h2-3,12-14,16-17,19H,4-11H2,1H3,(H,25,27)(H,28,29)/t12?,13?,14?,16-,17+,19+,23?
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Article
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged full length human 11beta-HSD1 assessed as inhibition of cortisone to cortisol conversion preincubated for 25 mins...


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Rattus norvegicus (rat))
BDBM50016983
PNG
(CHEMBL3220543)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(SC)n1 |r,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C23H29N3O3S/c1-30-21-15(2-3-18(24-21)26-10-16-17(11-26)19(16)22(28)29)20(27)25-23-7-12-4-13(8-23)6-14(5-12)9-23/h2-3,12-14,16-17,19H,4-11H2,1H3,(H,25,27)(H,28,29)/t12?,13?,14?,16-,17+,19+,23?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 82n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged full length rat 11beta-HSD1 assessed as inhibition of cortisone to cortisol conversion preincubated for 25 mins m...


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50016983
PNG
(CHEMBL3220543)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(SC)n1 |r,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C23H29N3O3S/c1-30-21-15(2-3-18(24-21)26-10-16-17(11-26)19(16)22(28)29)20(27)25-23-7-12-4-13(8-23)6-14(5-12)9-23/h2-3,12-14,16-17,19H,4-11H2,1H3,(H,25,27)(H,28,29)/t12?,13?,14?,16-,17+,19+,23?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged full length mouse 11beta-HSD1 assessed as inhibition of cortisone to cortisol conversion preincubated for 25 mins...


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair