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BDBM50306422 2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl}acetic acid::CHEMBL597063

SMILES: Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=RQGFSTVIFKBKGN-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50306422   
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))
BDBM50306422
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dih...)
Show SMILES Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-24(16)21(14-23(30)31)15-27(22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50306422
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dih...)
Show SMILES Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-24(16)21(14-23(30)31)15-27(22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306422
PNG
(2-{1'-[(adamantan-2-yl)carbamoyl]-4-methyl-2,3-dih...)
Show SMILES Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C27H36N2O3/c1-16-3-2-4-22-24(16)21(14-23(30)31)15-27(22)5-7-29(8-6-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-4,17-21,25H,5-15H2,1H3,(H,28,32)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19.7n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA


Bioorg Med Chem Lett 20: 881-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.082
BindingDB Entry DOI: 10.7270/Q2KK9BWZ
More data for this
Ligand-Target Pair