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BDBM50342903 6-(benzo[d][1,3]dioxol-5-yl)-N-(2-(furan-2-yl)ethyl)quinazolin-4-amine::CHEMBL1357975

SMILES: C(Cc1ccco1)Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1

InChI Key: InChIKey=MQSQPFAQNYDQLL-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50342903   
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 protein kinase CLK2


(Homo sapiens (Human))
BDBM50342903
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(2-(furan-2-yl)ethy...)
Show SMILES C(Cc1ccco1)Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-2-16(25-9-1)7-8-22-21-17-10-14(3-5-18(17)23-12-24-21)15-4-6-19-20(11-15)27-13-26-19/h1-6,9-12H,7-8,13H2,(H,22,23,24)
PDB

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B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 801n/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
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50342903
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(2-(furan-2-yl)ethy...)
Show SMILES C(Cc1ccco1)Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-2-16(25-9-1)7-8-22-21-17-10-14(3-5-18(17)23-12-24-21)15-4-6-19-20(11-15)27-13-26-19/h1-6,9-12H,7-8,13H2,(H,22,23,24)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.02E+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))
BDBM50342903
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(2-(furan-2-yl)ethy...)
Show SMILES C(Cc1ccco1)Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-2-16(25-9-1)7-8-22-21-17-10-14(3-5-18(17)23-12-24-21)15-4-6-19-20(11-15)27-13-26-19/h1-6,9-12H,7-8,13H2,(H,22,23,24)
UniProtKB/SwissProt
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antibodypedia
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PC sid
UniChem
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n/an/a 130n/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))
BDBM50342903
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(2-(furan-2-yl)ethy...)
Show SMILES C(Cc1ccco1)Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-2-16(25-9-1)7-8-22-21-17-10-14(3-5-18(17)23-12-24-21)15-4-6-19-20(11-15)27-13-26-19/h1-6,9-12H,7-8,13H2,(H,22,23,24)
PDB
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PC sid
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n/an/a 74n/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 specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342903
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(2-(furan-2-yl)ethy...)
Show SMILES C(Cc1ccco1)Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-2-16(25-9-1)7-8-22-21-17-10-14(3-5-18(17)23-12-24-21)15-4-6-19-20(11-15)27-13-26-19/h1-6,9-12H,7-8,13H2,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/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))
BDBM50342903
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(2-(furan-2-yl)ethy...)
Show SMILES C(Cc1ccco1)Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-2-16(25-9-1)7-8-22-21-17-10-14(3-5-18(17)23-12-24-21)15-4-6-19-20(11-15)27-13-26-19/h1-6,9-12H,7-8,13H2,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/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