BindingDB logo
myBDB logout

BDBM50263510 4-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)-2-cyano-N-methyl-6-((1-methylpiperidin-4-yl)methoxy)pyrimidine-5-carboxamide::CHEMBL513921

SMILES: CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N

InChI Key: InChIKey=VSXHUXZKABYCMR-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 = 50263510   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50263510
PNG
(4-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)-2-cya...)
Show SMILES CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N
Show InChI InChI=1S/C23H34N6O4/c1-25-21(30)19-20(26-14-16-3-7-23(8-4-16)32-11-12-33-23)27-18(13-24)28-22(19)31-15-17-5-9-29(2)10-6-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,30)(H,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.77E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells


Bioorg Med Chem Lett 18: 5280-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50263510
PNG
(4-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)-2-cya...)
Show SMILES CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N
Show InChI InChI=1S/C23H34N6O4/c1-25-21(30)19-20(26-14-16-3-7-23(8-4-16)32-11-12-33-23)27-18(13-24)28-22(19)31-15-17-5-9-29(2)10-6-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,30)(H,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 5280-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50263510
PNG
(4-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)-2-cya...)
Show SMILES CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N
Show InChI InChI=1S/C23H34N6O4/c1-25-21(30)19-20(26-14-16-3-7-23(8-4-16)32-11-12-33-23)27-18(13-24)28-22(19)31-15-17-5-9-29(2)10-6-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,30)(H,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 426n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 5280-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6
More data for this
Ligand-Target Pair