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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 = 'BDBM50112139'   
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))
BDBM50112139
PNG
(CHEMBL3609867)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:10:9:27:3.4.28,8:3:27:9.7.6,THB:1:3:27:9.7.6,9:26:4:8.7.6,9:7:4:27.28.26,8:7:27:3.4.28,(3.79,.16,;3.07,1.16,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-7.46,-.97,;-8.67,-1.93,;-10.1,-1.35,;-10.28,-.14,;-9.13,-.59,;-11.31,-2.31,;-12.74,-1.73,;-13.95,-2.69,;-13.73,-4.21,;-12.3,-4.78,;-11.09,-3.83,;-9.95,-4.29,;-1.2,1.02,;-1.2,2.69,;.34,.44,)|
Show InChI InChI=1S/C20H26FN3O4S/c21-15-3-1-2-4-16(15)29(27,28)23-6-5-17(25)24-18-13-7-12-8-14(18)11-20(9-12,10-13)19(22)26/h1-4,12-14,18,23H,5-11H2,(H2,22,26)(H,24,25)/t12?,13?,14?,18-,20?
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PC cid
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112139
PNG
(CHEMBL3609867)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:10:9:27:3.4.28,8:3:27:9.7.6,THB:1:3:27:9.7.6,9:26:4:8.7.6,9:7:4:27.28.26,8:7:27:3.4.28,(3.79,.16,;3.07,1.16,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-7.46,-.97,;-8.67,-1.93,;-10.1,-1.35,;-10.28,-.14,;-9.13,-.59,;-11.31,-2.31,;-12.74,-1.73,;-13.95,-2.69,;-13.73,-4.21,;-12.3,-4.78,;-11.09,-3.83,;-9.95,-4.29,;-1.2,1.02,;-1.2,2.69,;.34,.44,)|
Show InChI InChI=1S/C20H26FN3O4S/c21-15-3-1-2-4-16(15)29(27,28)23-6-5-17(25)24-18-13-7-12-8-14(18)11-20(9-12,10-13)19(22)26/h1-4,12-14,18,23H,5-11H2,(H2,22,26)(H,24,25)/t12?,13?,14?,18-,20?
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>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair