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BDBM50535798 CHEMBL4551399

SMILES: [H][C@]1(O[C@]1([H])C(O)C(C)(C)O)[C@H](C)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C

InChI Key: InChIKey=IAGTZTQYAGDHBI-MHDOYMHWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50535798   
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


(Homo sapiens (Human))
BDBM50535798
PNG
(CHEMBL4551399)
Show SMILES [H][C@]1(O[C@]1([H])C(O)C(C)(C)O)[C@H](C)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |r,t:20|
Show InChI InChI=1S/C30H50O4/c1-17(23-24(34-23)25(32)27(4,5)33)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21-25,31-33H,10-16H2,1-8H3/t17-,18+,19+,21+,22-,23+,24+,25?,28-,29+,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...


J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50535798
PNG
(CHEMBL4551399)
Show SMILES [H][C@]1(O[C@]1([H])C(O)C(C)(C)O)[C@H](C)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |r,t:20|
Show InChI InChI=1S/C30H50O4/c1-17(23-24(34-23)25(32)27(4,5)33)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21-25,31-33H,10-16H2,1-8H3/t17-,18+,19+,21+,22-,23+,24+,25?,28-,29+,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...


J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
More data for this
Ligand-Target Pair