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BDBM50394027 CHEMBL2158480

SMILES: Cc1ccc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1

InChI Key: InChIKey=ODVXHPCEKQSWPZ-QWNNIOERSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50394027   
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))
BDBM50394027
PNG
(CHEMBL2158480)
Show SMILES Cc1ccc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1
Show InChI InChI=1S/C20H26N2O2/c1-11-2-5-16(18(21-11)13-3-4-13)19(23)22-17-14-6-12-7-15(17)10-20(24,8-12)9-14/h2,5,12-15,17,24H,3-4,6-10H2,1H3,(H,22,23)/t12?,14?,15?,17-,20-
PDB
MMDB

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B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 107n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50394027
PNG
(CHEMBL2158480)
Show SMILES Cc1ccc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1
Show InChI InChI=1S/C20H26N2O2/c1-11-2-5-16(18(21-11)13-3-4-13)19(23)22-17-14-6-12-7-15(17)10-20(24,8-12)9-14/h2,5,12-15,17,24H,3-4,6-10H2,1H3,(H,22,23)/t12?,14?,15?,17-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 139n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair