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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 = 'BDBM50202095'   
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))
BDBM50202095
PNG
(CHEMBL415429 | E-(2R)-(3R-fluoro-pyrrolidin-1-yl)-...)
Show SMILES C[C@@H](N1CC[C@@H](F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,TLB:11:12:20:15.16.17,10:11:20.14.15:17,THB:13:14:17:21.12.11,13:12:20.14.15:17,11:16:20:21.13.12|
Show InChI InChI=1S/C17H27FN2O2/c1-10(20-3-2-14(18)9-20)16(21)19-15-12-4-11-5-13(15)8-17(22,6-11)7-12/h10-15,22H,2-9H2,1H3,(H,19,21)/t10-,11?,12?,13?,14-,15-,17-/m1/s1
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Article
PubMed
9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in E. coli by SPA


J Med Chem 50: 149-64 (2007)


Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50202095
PNG
(CHEMBL415429 | E-(2R)-(3R-fluoro-pyrrolidin-1-yl)-...)
Show SMILES C[C@@H](N1CC[C@@H](F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,TLB:11:12:20:15.16.17,10:11:20.14.15:17,THB:13:14:17:21.12.11,13:12:20.14.15:17,11:16:20:21.13.12|
Show InChI InChI=1S/C17H27FN2O2/c1-10(20-3-2-14(18)9-20)16(21)19-15-12-4-11-5-13(15)8-17(22,6-11)7-12/h10-15,22H,2-9H2,1H3,(H,19,21)/t10-,11?,12?,13?,14-,15-,17-/m1/s1
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Article
PubMed
12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in E. coli by SPA


J Med Chem 50: 149-64 (2007)


Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50202095
PNG
(CHEMBL415429 | E-(2R)-(3R-fluoro-pyrrolidin-1-yl)-...)
Show SMILES C[C@@H](N1CC[C@@H](F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,TLB:11:12:20:15.16.17,10:11:20.14.15:17,THB:13:14:17:21.12.11,13:12:20.14.15:17,11:16:20:21.13.12|
Show InChI InChI=1S/C17H27FN2O2/c1-10(20-3-2-14(18)9-20)16(21)19-15-12-4-11-5-13(15)8-17(22,6-11)7-12/h10-15,22H,2-9H2,1H3,(H,19,21)/t10-,11?,12?,13?,14-,15-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by FPIA


J Med Chem 50: 149-64 (2007)


Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN
More data for this
Ligand-Target Pair