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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 = 'BDBM292685'   
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))
BDBM292685
PNG
((S)-2-(1-(2-cyanoethyl)-1H-pyrazol-4-yl)-N-(2-(die...)
Show SMILES CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)-c1cnn2ccc(nc12)-c1cccs1)-c1cnn(CCC#N)c1 |r|
Show InChI InChI=1S/C29H31N9OS/c1-4-36(5-2)20(3)16-31-29(39)21-14-25(22-17-32-37(19-22)11-7-10-30)34-26(15-21)23-18-33-38-12-9-24(35-28(23)38)27-8-6-13-40-27/h6,8-9,12-15,17-20H,4-5,7,11,16H2,1-3H3,(H,31,39)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.150n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
The biochemical activity of recombinant CaMKIIδ was measured by monitoring the phosphorylation of a target peptide using Homogenous Time Resolve...


US Patent US10100058 (2018)


BindingDB Entry DOI: 10.7270/Q2V98B4F
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))
BDBM292685
PNG
((S)-2-(1-(2-cyanoethyl)-1H-pyrazol-4-yl)-N-(2-(die...)
Show SMILES CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)-c1cnn2ccc(nc12)-c1cccs1)-c1cnn(CCC#N)c1 |r|
Show InChI InChI=1S/C29H31N9OS/c1-4-36(5-2)20(3)16-31-29(39)21-14-25(22-17-32-37(19-22)11-7-10-30)34-26(15-21)23-18-33-38-12-9-24(35-28(23)38)27-8-6-13-40-27/h6,8-9,12-15,17-20H,4-5,7,11,16H2,1-3H3,(H,31,39)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 12.8n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
CaMKII activity in neonatal rat ventricular myocytes (NRVM) was measured by monitoring the phosphorylation level of phospholamban using high-content ...


US Patent US10100058 (2018)


BindingDB Entry DOI: 10.7270/Q2V98B4F
More data for this
Ligand-Target Pair