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BDBM50329290 (R)-3-Isopropoxycarbonylamino-pyrrolidine-1-carboxylic acid adamantan-2-yl ester::CHEMBL1270309

SMILES: CC(C)OC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=MTMPMDZHCAGNOP-NCRZNSOSNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50329290   
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))
BDBM50329290
PNG
((R)-3-Isopropoxycarbonylamino-pyrrolidine-1-carbox...)
Show SMILES CC(C)OC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1/C19H30N2O4/c1-11(2)24-18(22)20-16-3-4-21(10-16)19(23)25-17-14-6-12-5-13(8-14)9-15(17)7-12/h11-17H,3-10H2,1-2H3,(H,20,22)/t12?,13?,14?,15?,16-,17?/s2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 36.3n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 11betaHSD1 in human platelet assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader


Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50329290
PNG
((R)-3-Isopropoxycarbonylamino-pyrrolidine-1-carbox...)
Show SMILES CC(C)OC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1/C19H30N2O4/c1-11(2)24-18(22)20-16-3-4-21(10-16)19(23)25-17-14-6-12-5-13(8-14)9-15(17)7-12/h11-17H,3-10H2,1-2H3,(H,20,22)/t12?,13?,14?,15?,16-,17?/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader


Bioorg Med Chem Lett 20: 6725-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.142
BindingDB Entry DOI: 10.7270/Q2X92BJ5
More data for this
Ligand-Target Pair