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BDBM29840 spiro-carboxamide scaffold, 13

SMILES: O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccccc1

InChI Key: InChIKey=KYTGICHJQRECNO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 29840   
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))
BDBM29840
PNG
(spiro-carboxamide scaffold, 13)
Show SMILES O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccccc1
Show InChI InChI=1S/C19H25NO/c21-17(19(11-12-19)16-7-3-1-4-8-16)20-14-13-18(15-20)9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-15H2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.5n/an/an/an/a7.437



Merck-Serono



Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init...


Bioorg Med Chem Lett 19: 3682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM29840
PNG
(spiro-carboxamide scaffold, 13)
Show SMILES O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccccc1
Show InChI InChI=1S/C19H25NO/c21-17(19(11-12-19)16-7-3-1-4-8-16)20-14-13-18(15-20)9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-15H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.822



Merck-Serono



Assay Description
11beta-HSD2 enzyme activity was assessed in buffer containing NAD, test compound, and human recombinant 11beta-HSD2 expressed in E. coli. Reaction wa...


Bioorg Med Chem Lett 19: 3682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM29840
PNG
(spiro-carboxamide scaffold, 13)
Show SMILES O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccccc1
Show InChI InChI=1S/C19H25NO/c21-17(19(11-12-19)16-7-3-1-4-8-16)20-14-13-18(15-20)9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 377n/an/an/an/a7.437



Merck-Serono



Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init...


Bioorg Med Chem Lett 19: 3682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ
More data for this
Ligand-Target Pair