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BDBM50339811 (3beta,18beta,20beta)-N-Hydroxy-N-methyl-[3-(1,2,4-oxadiazole-5(2H)-one)]-11-oxo-olean-12-en-29-amide::CHEMBL1689282

SMILES: CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6nc(=O)o[nH]6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

InChI Key: InChIKey=ZBWAJSRMNVFHIR-OAFQVGTHSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50339811   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50339811
PNG
((3beta,18beta,20beta)-N-Hydroxy-N-methyl-[3-(1,2,4...)
Show SMILES CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6nc(=O)o[nH]6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
Show InChI InChI=1S/C33H49N3O6/c1-28(2)22-9-12-33(7)24(31(22,5)11-10-23(28)41-26-34-27(39)42-35-26)21(37)17-19-20-18-30(4,25(38)36(8)40)14-13-29(20,3)15-16-32(19,33)6/h17,20,22-24,40H,9-16,18H2,1-8H3,(H,34,35,39)/t20-,22-,23-,24+,29+,30-,31-,32+,33+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation...


Bioorg Med Chem 19: 1866-80 (2011)


Article DOI: 10.1016/j.bmc.2011.02.005
BindingDB Entry DOI: 10.7270/Q2VD6ZR7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50339811
PNG
((3beta,18beta,20beta)-N-Hydroxy-N-methyl-[3-(1,2,4...)
Show SMILES CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6nc(=O)o[nH]6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
Show InChI InChI=1S/C33H49N3O6/c1-28(2)22-9-12-33(7)24(31(22,5)11-10-23(28)41-26-34-27(39)42-35-26)21(37)17-19-20-18-30(4,25(38)36(8)40)14-13-29(20,3)15-16-32(19,33)6/h17,20,22-24,40H,9-16,18H2,1-8H3,(H,34,35,39)/t20-,22-,23-,24+,29+,30-,31-,32+,33+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 504n/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [1,2-[3H]cortisone to cortisol after 10 mins by scint...


Bioorg Med Chem 19: 1866-80 (2011)


Article DOI: 10.1016/j.bmc.2011.02.005
BindingDB Entry DOI: 10.7270/Q2VD6ZR7
More data for this
Ligand-Target Pair