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BDBM50018812 CHEMBL3291353

SMILES: [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccn1)n3C)C2(C)C

InChI Key: InChIKey=QYTUGODFCXAKLV-DIFFPNOSSA-N

Data: 2 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 2 hits for monomerid = 50018812   
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 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018812
PNG
(CHEMBL3291353)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccn1)n3C)C2(C)C |r|
Show InChI InChI=1S/C17H21N3O/c1-16(2)11-8-9-17(16,3)14-13(11)15(21)20(19(14)4)12-7-5-6-10-18-12/h5-7,10-11H,8-9H2,1-4H3/t11-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50018812
PNG
(CHEMBL3291353)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccn1)n3C)C2(C)C |r|
Show InChI InChI=1S/C17H21N3O/c1-16(2)11-8-9-17(16,3)14-13(11)15(21)20(19(14)4)12-7-5-6-10-18-12/h5-7,10-11H,8-9H2,1-4H3/t11-,17+/m1/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 634n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair