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BDBM50342908 CHEMBL1407164::N-((1H-imidazol-2-yl)methyl)-6-(benzo[d][1,3]dioxol-5-yl)quinazolin-4-amine

SMILES: C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ncc[nH]1

InChI Key: InChIKey=PWBGPHVFGDQYNG-UHFFFAOYSA-N

Data: 6 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50342908   
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
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50342908
PNG
(CHEMBL1407164 | N-((1H-imidazol-2-yl)methyl)-6-(be...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ncc[nH]1
Show InChI InChI=1S/C19H15N5O2/c1-3-15-14(19(24-10-23-15)22-9-18-20-5-6-21-18)7-12(1)13-2-4-16-17(8-13)26-11-25-16/h1-8,10H,9,11H2,(H,20,21)(H,22,23,24)
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n/an/a 1.13E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1B kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50342908
PNG
(CHEMBL1407164 | N-((1H-imidazol-2-yl)methyl)-6-(be...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ncc[nH]1
Show InChI InChI=1S/C19H15N5O2/c1-3-15-14(19(24-10-23-15)22-9-18-20-5-6-21-18)7-12(1)13-2-4-16-17(8-13)26-11-25-16/h1-8,10H,9,11H2,(H,20,21)(H,22,23,24)
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PubMed
n/an/a 3.59E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk2 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342908
PNG
(CHEMBL1407164 | N-((1H-imidazol-2-yl)methyl)-6-(be...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ncc[nH]1
Show InChI InChI=1S/C19H15N5O2/c1-3-15-14(19(24-10-23-15)22-9-18-20-5-6-21-18)7-12(1)13-2-4-16-17(8-13)26-11-25-16/h1-8,10H,9,11H2,(H,20,21)(H,22,23,24)
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KEGG

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n/an/a 191n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342908
PNG
(CHEMBL1407164 | N-((1H-imidazol-2-yl)methyl)-6-(be...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ncc[nH]1
Show InChI InChI=1S/C19H15N5O2/c1-3-15-14(19(24-10-23-15)22-9-18-20-5-6-21-18)7-12(1)13-2-4-16-17(8-13)26-11-25-16/h1-8,10H,9,11H2,(H,20,21)(H,22,23,24)
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n/an/a 34n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342908
PNG
(CHEMBL1407164 | N-((1H-imidazol-2-yl)methyl)-6-(be...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ncc[nH]1
Show InChI InChI=1S/C19H15N5O2/c1-3-15-14(19(24-10-23-15)22-9-18-20-5-6-21-18)7-12(1)13-2-4-16-17(8-13)26-11-25-16/h1-8,10H,9,11H2,(H,20,21)(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 155n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50342908
PNG
(CHEMBL1407164 | N-((1H-imidazol-2-yl)methyl)-6-(be...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ncc[nH]1
Show InChI InChI=1S/C19H15N5O2/c1-3-15-14(19(24-10-23-15)22-9-18-20-5-6-21-18)7-12(1)13-2-4-16-17(8-13)26-11-25-16/h1-8,10H,9,11H2,(H,20,21)(H,22,23,24)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk3 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair