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BDBM50342912 6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)quinazolin-4-amine::CHEMBL1437638

SMILES: CN(Cc1nnc(C)o1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

InChI Key: InChIKey=CKEWXVJUPNKAPF-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 = 50342912   
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))
BDBM50342912
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((5-methyl...)
Show SMILES CN(Cc1nnc(C)o1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H17N5O3/c1-12-23-24-19(28-12)9-25(2)20-15-7-13(3-5-16(15)21-10-22-20)14-4-6-17-18(8-14)27-11-26-17/h3-8,10H,9,11H2,1-2H3
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.44E+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))
BDBM50342912
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((5-methyl...)
Show SMILES CN(Cc1nnc(C)o1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H17N5O3/c1-12-23-24-19(28-12)9-25(2)20-15-7-13(3-5-16(15)21-10-22-20)14-4-6-17-18(8-14)27-11-26-17/h3-8,10H,9,11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.12E+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-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342912
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((5-methyl...)
Show SMILES CN(Cc1nnc(C)o1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H17N5O3/c1-12-23-24-19(28-12)9-25(2)20-15-7-13(3-5-16(15)21-10-22-20)14-4-6-17-18(8-14)27-11-26-17/h3-8,10H,9,11H2,1-2H3
PDB
MMDB

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KEGG

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n/an/a 120n/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))
BDBM50342912
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((5-methyl...)
Show SMILES CN(Cc1nnc(C)o1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H17N5O3/c1-12-23-24-19(28-12)9-25(2)20-15-7-13(3-5-16(15)21-10-22-20)14-4-6-17-18(8-14)27-11-26-17/h3-8,10H,9,11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
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n/an/a 45n/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))
BDBM50342912
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((5-methyl...)
Show SMILES CN(Cc1nnc(C)o1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H17N5O3/c1-12-23-24-19(28-12)9-25(2)20-15-7-13(3-5-16(15)21-10-22-20)14-4-6-17-18(8-14)27-11-26-17/h3-8,10H,9,11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/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
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50342912
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((5-methyl...)
Show SMILES CN(Cc1nnc(C)o1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H17N5O3/c1-12-23-24-19(28-12)9-25(2)20-15-7-13(3-5-16(15)21-10-22-20)14-4-6-17-18(8-14)27-11-26-17/h3-8,10H,9,11H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
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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