BindingDB logo
myBDB logout

BDBM50430144 CHEMBL2338242

SMILES: Cn1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O

InChI Key: InChIKey=KJNGBIARSCJULD-VYYWVSPFSA-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 = 50430144   
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))
BDBM50430144
PNG
(CHEMBL2338242)
Show SMILES Cn1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:12.12,19.21,TLB:16:15:22:18.17.12,16:17:21.15.14:22,12:13:21:18.16.17,THB:12:17:21:14.13.22,11:12:21.15.14:22,(8.15,-31.75,;8.91,-33.08,;8.27,-34.48,;9.4,-35.52,;10.75,-34.76,;10.44,-33.25,;11.43,-32.07,;10.09,-31.3,;11.42,-30.53,;12.96,-32.11,;13.89,-33.34,;13.52,-34.83,;14.7,-35.82,;16.09,-35.23,;17.14,-36.45,;17.15,-38.03,;15.75,-38.61,;14.72,-37.35,;16.12,-37.68,;17.44,-37.18,;18.97,-37.16,;18.65,-38.44,;17.44,-35.69,;12.12,-35.46,;12.08,-37,)|
Show InChI InChI=1S/C20H29N3O2/c1-19(2)4-5-23(18(24)15-11-21-22(3)17(15)19)16-13-6-12-7-14(16)10-20(25,8-12)9-13/h11-14,16,25H,4-10H2,1-3H3/t12?,13?,14?,16-,20+
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>100n/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))
BDBM50430144
PNG
(CHEMBL2338242)
Show SMILES Cn1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:12.12,19.21,TLB:16:15:22:18.17.12,16:17:21.15.14:22,12:13:21:18.16.17,THB:12:17:21:14.13.22,11:12:21.15.14:22,(8.15,-31.75,;8.91,-33.08,;8.27,-34.48,;9.4,-35.52,;10.75,-34.76,;10.44,-33.25,;11.43,-32.07,;10.09,-31.3,;11.42,-30.53,;12.96,-32.11,;13.89,-33.34,;13.52,-34.83,;14.7,-35.82,;16.09,-35.23,;17.14,-36.45,;17.15,-38.03,;15.75,-38.61,;14.72,-37.35,;16.12,-37.68,;17.44,-37.18,;18.97,-37.16,;18.65,-38.44,;17.44,-35.69,;12.12,-35.46,;12.08,-37,)|
Show InChI InChI=1S/C20H29N3O2/c1-19(2)4-5-23(18(24)15-11-21-22(3)17(15)19)16-13-6-12-7-14(16)10-20(25,8-12)9-13/h11-14,16,25H,4-10H2,1-3H3/t12?,13?,14?,16-,20+
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 29n/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