BindingDB logo
myBDB logout

BDBM50430153 CHEMBL2338257

SMILES: CCn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O

InChI Key: InChIKey=SDTVTFWVSFBYNT-NOMVEBCGSA-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 = 50430153   
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


(Mus musculus (mouse))
BDBM50430153
PNG
(CHEMBL2338257)
Show SMILES CCn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:11.11,18.20,TLB:15:14:21:17.16.11,15:16:20.14.13:21,11:12:20:17.15.16,THB:11:16:20:13.12.21,10:11:20.14.13:21,(27.59,-3.1,;26.81,-4.42,;27.57,-5.77,;26.93,-7.17,;28.06,-8.21,;29.41,-7.45,;29.1,-5.94,;30.09,-4.76,;31.63,-4.8,;32.56,-6.03,;32.19,-7.52,;33.37,-8.51,;34.76,-7.92,;35.81,-9.15,;35.82,-10.73,;34.42,-11.31,;33.39,-10.04,;34.79,-10.37,;36.11,-9.87,;37.65,-9.85,;37.32,-11.14,;36.11,-8.39,;30.79,-8.15,;30.75,-9.69,)|
Show InChI InChI=1S/C19H27N3O2/c1-2-22-16-4-3-5-21(18(23)15(16)11-20-22)17-13-6-12-7-14(17)10-19(24,8-12)9-13/h11-14,17,24H,2-10H2,1H3/t12?,13?,14?,17-,19+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>300n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay


Bioorg Med Chem Lett 23: 1617-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50430153
PNG
(CHEMBL2338257)
Show SMILES CCn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:11.11,18.20,TLB:15:14:21:17.16.11,15:16:20.14.13:21,11:12:20:17.15.16,THB:11:16:20:13.12.21,10:11:20.14.13:21,(27.59,-3.1,;26.81,-4.42,;27.57,-5.77,;26.93,-7.17,;28.06,-8.21,;29.41,-7.45,;29.1,-5.94,;30.09,-4.76,;31.63,-4.8,;32.56,-6.03,;32.19,-7.52,;33.37,-8.51,;34.76,-7.92,;35.81,-9.15,;35.82,-10.73,;34.42,-11.31,;33.39,-10.04,;34.79,-10.37,;36.11,-9.87,;37.65,-9.85,;37.32,-11.14,;36.11,-8.39,;30.79,-8.15,;30.75,-9.69,)|
Show InChI InChI=1S/C19H27N3O2/c1-2-22-16-4-3-5-21(18(23)15(16)11-20-22)17-13-6-12-7-14(17)10-19(24,8-12)9-13/h11-14,17,24H,2-10H2,1H3/t12?,13?,14?,17-,19+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 111n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay


Bioorg Med Chem Lett 23: 1617-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ
More data for this
Ligand-Target Pair