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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcium/calmodulin-dependent protein kinase type II subunit delta' and Ligand = 'BDBM2695'   
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))
BDBM2695
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)
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UniProtKB/SwissProt

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MCE
MMDB
PC cid
PC sid
PDB
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Similars

Article
PubMed
n/an/a 310n/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
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))
BDBM2695
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 310n/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