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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase CLK2' and Ligand = 'BDBM317462'   
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
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 6n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CLK2 expressed in baculovirus by Z'-LYTE assay


J Med Chem 60: 8989-9002 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 6.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116921
BindingDB Entry DOI: 10.7270/Q25B06FX
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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US Patent
n/an/a 8.17n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...


US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 15n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of CLK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control


J Med Chem 60: 8989-9002 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM317462
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
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n/an/a 549n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of CLK2 in human CAL51 cells assessed as reduction in phosphorylation of SRp75 after 1 hr by Western blot analysis


J Med Chem 60: 8989-9002 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9
More data for this
Ligand-Target Pair