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SMILES: C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N

InChI Key: InChIKey=LSEXYAQECWMUPY-QGZVFWFLSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50337694   
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
Serine/threonine-protein kinase D2


(Homo sapiens (Human))
BDBM50337694
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r|
Show InChI InChI=1S/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/m1/s1
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Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD2


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))
BDBM50337694
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r|
Show InChI InChI=1S/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/m1/s1
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n/an/a>7.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CaMK2delta


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D3


(Homo sapiens (Human))
BDBM50337694
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r|
Show InChI InChI=1S/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD3


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337694
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r|
Show InChI InChI=1S/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/m1/s1
NCI pathway
Reactome pathway
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Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Pkd1


(Rattus norvegicus)
BDBM50337694
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r|
Show InChI InChI=1S/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 240n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair