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BDBM50342893 6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine::CHEMBL1725513

SMILES: C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ccco1

InChI Key: InChIKey=OHNZJKJYATYGCV-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 = 50342893   
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))
BDBM50342893
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)q...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ccco1
Show InChI InChI=1S/C20H15N3O3/c1-2-15(24-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)26-12-25-18/h1-9,11H,10,12H2,(H,21,22,23)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 534n/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
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50342893
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)q...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ccco1
Show InChI InChI=1S/C20H15N3O3/c1-2-15(24-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)26-12-25-18/h1-9,11H,10,12H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.56E+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 specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342893
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)q...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ccco1
Show InChI InChI=1S/C20H15N3O3/c1-2-15(24-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)26-12-25-18/h1-9,11H,10,12H2,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 192n/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))
BDBM50342893
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)q...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ccco1
Show InChI InChI=1S/C20H15N3O3/c1-2-15(24-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)26-12-25-18/h1-9,11H,10,12H2,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 79n/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))
BDBM50342893
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)q...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ccco1
Show InChI InChI=1S/C20H15N3O3/c1-2-15(24-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)26-12-25-18/h1-9,11H,10,12H2,(H,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/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 CLK2


(Homo sapiens (Human))
BDBM50342893
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)q...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ccco1
Show InChI InChI=1S/C20H15N3O3/c1-2-15(24-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)26-12-25-18/h1-9,11H,10,12H2,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 301n/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