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BDBM50430154 CHEMBL2338256

SMILES: Cn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O

InChI Key: InChIKey=PMAPWQRZSCAYLV-SZBIMSGQSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50430154   
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))
BDBM50430154
PNG
(CHEMBL2338256)
Show SMILES Cn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:10.10,17.19,TLB:14:13:20:16.15.10,14:15:19.13.12:20,10:11:19:16.14.15,THB:10:15:19:12.11.20,9:10:19.13.12:20,(7.61,-4.19,;8.37,-5.53,;7.73,-6.94,;8.87,-7.98,;10.21,-7.22,;9.91,-5.71,;10.9,-4.53,;12.43,-4.57,;13.37,-5.8,;12.99,-7.29,;14.17,-8.28,;15.56,-7.69,;16.61,-8.92,;16.62,-10.5,;15.22,-11.08,;14.2,-9.81,;15.6,-10.14,;16.92,-9.64,;18.45,-9.62,;18.13,-10.91,;16.92,-8.16,;11.59,-7.92,;11.55,-9.46,)|
Show InChI InChI=1S/C18H25N3O2/c1-20-15-3-2-4-21(17(22)14(15)10-19-20)16-12-5-11-6-13(16)9-18(23,7-11)8-12/h10-13,16,23H,2-9H2,1H3/t11?,12?,13?,16-,18+
PDB
MMDB

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PC cid
PC sid
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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))
BDBM50430154
PNG
(CHEMBL2338256)
Show SMILES Cn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:10.10,17.19,TLB:14:13:20:16.15.10,14:15:19.13.12:20,10:11:19:16.14.15,THB:10:15:19:12.11.20,9:10:19.13.12:20,(7.61,-4.19,;8.37,-5.53,;7.73,-6.94,;8.87,-7.98,;10.21,-7.22,;9.91,-5.71,;10.9,-4.53,;12.43,-4.57,;13.37,-5.8,;12.99,-7.29,;14.17,-8.28,;15.56,-7.69,;16.61,-8.92,;16.62,-10.5,;15.22,-11.08,;14.2,-9.81,;15.6,-10.14,;16.92,-9.64,;18.45,-9.62,;18.13,-10.91,;16.92,-8.16,;11.59,-7.92,;11.55,-9.46,)|
Show InChI InChI=1S/C18H25N3O2/c1-20-15-3-2-4-21(17(22)14(15)10-19-20)16-12-5-11-6-13(16)9-18(23,7-11)8-12/h10-13,16,23H,2-9H2,1H3/t11?,12?,13?,16-,18+
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>300n/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