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BDBM50342927 6-(benzo[d][1,3]dioxol-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)quinazolin-4-amine::CHEMBL1515144

SMILES: CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

InChI Key: InChIKey=KBEZZFIQPRMPRG-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 = 50342927   
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
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50342927
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-ethyl-N-(thiophen-2...)
Show SMILES CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-2-25(12-17-4-3-9-28-17)22-18-10-15(5-7-19(18)23-13-24-22)16-6-8-20-21(11-16)27-14-26-20/h3-11,13H,2,12,14H2,1H3
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.17E+3n/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
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50342927
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-ethyl-N-(thiophen-2...)
Show SMILES CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-2-25(12-17-4-3-9-28-17)22-18-10-15(5-7-19(18)23-13-24-22)16-6-8-20-21(11-16)27-14-26-20/h3-11,13H,2,12,14H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 231n/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 tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342927
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-ethyl-N-(thiophen-2...)
Show SMILES CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-2-25(12-17-4-3-9-28-17)22-18-10-15(5-7-19(18)23-13-24-22)16-6-8-20-21(11-16)27-14-26-20/h3-11,13H,2,12,14H2,1H3
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n/an/a 38n/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
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342927
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-ethyl-N-(thiophen-2...)
Show SMILES CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-2-25(12-17-4-3-9-28-17)22-18-10-15(5-7-19(18)23-13-24-22)16-6-8-20-21(11-16)27-14-26-20/h3-11,13H,2,12,14H2,1H3
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antibodypedia
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PC sid
UniChem
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n/an/a 14n/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 specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342927
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-ethyl-N-(thiophen-2...)
Show SMILES CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-2-25(12-17-4-3-9-28-17)22-18-10-15(5-7-19(18)23-13-24-22)16-6-8-20-21(11-16)27-14-26-20/h3-11,13H,2,12,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/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 CLK2


(Homo sapiens (Human))
BDBM50342927
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-ethyl-N-(thiophen-2...)
Show SMILES CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-2-25(12-17-4-3-9-28-17)22-18-10-15(5-7-19(18)23-13-24-22)16-6-8-20-21(11-16)27-14-26-20/h3-11,13H,2,12,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 447n/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