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BDBM50384887 CHEMBL2035569

SMILES: C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2([C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)C(O)=O

InChI Key: InChIKey=WDJQHANSLSJHNN-XEPWAXDFSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50384887   
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 1


(Homo sapiens (human))
BDBM50384887
PNG
(CHEMBL2035569)
Show SMILES C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2([C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)C(O)=O
Show InChI InChI=1S/C30H50O5/c1-18(7-10-23(32)26(4,5)35)19-11-14-30(24(33)34)21-9-8-20-25(2,3)22(31)12-13-28(20)17-29(21,28)16-15-27(19,30)6/h18-23,31-32,35H,7-17H2,1-6H3,(H,33,34)/t18-,19-,20+,21-,22+,23-,27-,28-,29+,30+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay


J Nat Prod 75: 599-604 (2012)


Article DOI: 10.1021/np200831c
BindingDB Entry DOI: 10.7270/Q27M090Q
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50384887
PNG
(CHEMBL2035569)
Show SMILES C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2([C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)C(O)=O
Show InChI InChI=1S/C30H50O5/c1-18(7-10-23(32)26(4,5)35)19-11-14-30(24(33)34)21-9-8-20-25(2,3)22(31)12-13-28(20)17-29(21,28)16-15-27(19,30)6/h18-23,31-32,35H,7-17H2,1-6H3,(H,33,34)/t18-,19-,20+,21-,22+,23-,27-,28-,29+,30+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay


J Nat Prod 75: 599-604 (2012)


Article DOI: 10.1021/np200831c
BindingDB Entry DOI: 10.7270/Q27M090Q
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50384887
PNG
(CHEMBL2035569)
Show SMILES C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2([C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)C(O)=O
Show InChI InChI=1S/C30H50O5/c1-18(7-10-23(32)26(4,5)35)19-11-14-30(24(33)34)21-9-8-20-25(2,3)22(31)12-13-28(20)17-29(21,28)16-15-27(19,30)6/h18-23,31-32,35H,7-17H2,1-6H3,(H,33,34)/t18-,19-,20+,21-,22+,23-,27-,28-,29+,30+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay


J Nat Prod 75: 599-604 (2012)


Article DOI: 10.1021/np200831c
BindingDB Entry DOI: 10.7270/Q27M090Q
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384887
PNG
(CHEMBL2035569)
Show SMILES C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2([C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)C(O)=O
Show InChI InChI=1S/C30H50O5/c1-18(7-10-23(32)26(4,5)35)19-11-14-30(24(33)34)21-9-8-20-25(2,3)22(31)12-13-28(20)17-29(21,28)16-15-27(19,30)6/h18-23,31-32,35H,7-17H2,1-6H3,(H,33,34)/t18-,19-,20+,21-,22+,23-,27-,28-,29+,30+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay


J Nat Prod 75: 599-604 (2012)


Article DOI: 10.1021/np200831c
BindingDB Entry DOI: 10.7270/Q27M090Q
More data for this
Ligand-Target Pair