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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Calcium/calmodulin-dependent protein kinase type II subunit delta' and Ligand = 'BDBM2691'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))
BDBM2691
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
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MCE
MMDB
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Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta


Bioorg Med Chem Lett 18: 2390-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.059
BindingDB Entry DOI: 10.7270/Q27W6D2W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))
BDBM2691
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
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DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta


Bioorg Med Chem Lett 18: 2399-403 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))
BDBM2691
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta


Bioorg Med Chem Lett 18: 2395-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.058
BindingDB Entry DOI: 10.7270/Q2QZ2BVW
More data for this
Ligand-Target Pair