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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 = 'BDBM50016982'   
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))
BDBM50016982
PNG
(CHEMBL3287027)
Show SMILES NC(=O)[C@@]12CC3CC(C[C@](C3)(C1)NC(=O)CN1CCCN(c3c(Cl)cc(Cl)cc3Cl)S1(=O)=O)C2 |r,TLB:33:3:8.7.6:10,THB:33:7:10:11.3.4,4:3:8:6.5.10,4:5:8:11.33.3,1:3:8:6.5.10,1:3:8.7.6:10|
Show InChI InChI=1S/C22H27Cl3N4O4S/c23-15-5-16(24)19(17(25)6-15)29-3-1-2-28(34(29,32)33)11-18(30)27-22-9-13-4-14(10-22)8-21(7-13,12-22)20(26)31/h5-6,13-14H,1-4,7-12H2,(H2,26,31)(H,27,30)/t13?,14?,21-,22-
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


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))
BDBM50016982
PNG
(CHEMBL3287027)
Show SMILES NC(=O)[C@@]12CC3CC(C[C@](C3)(C1)NC(=O)CN1CCCN(c3c(Cl)cc(Cl)cc3Cl)S1(=O)=O)C2 |r,TLB:33:3:8.7.6:10,THB:33:7:10:11.3.4,4:3:8:6.5.10,4:5:8:11.33.3,1:3:8:6.5.10,1:3:8.7.6:10|
Show InChI InChI=1S/C22H27Cl3N4O4S/c23-15-5-16(24)19(17(25)6-15)29-3-1-2-28(34(29,32)33)11-18(30)27-22-9-13-4-14(10-22)8-21(7-13,12-22)20(26)31/h5-6,13-14H,1-4,7-12H2,(H2,26,31)(H,27,30)/t13?,14?,21-,22-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


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