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BDBM50342918 6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylfuran-3-yl)methyl)quinazolin-4-amine::CHEMBL1476499

SMILES: Cc1occc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1

InChI Key: InChIKey=ONVZMCUWBPPGDN-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 = 50342918   
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))
BDBM50342918
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylfuran-3-y...)
Show SMILES Cc1occc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-13-16(6-7-25-13)10-22-21-17-8-14(2-4-18(17)23-11-24-21)15-3-5-19-20(9-15)27-12-26-19/h2-9,11H,10,12H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.73E+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
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50342918
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylfuran-3-y...)
Show SMILES Cc1occc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-13-16(6-7-25-13)10-22-21-17-8-14(2-4-18(17)23-11-24-21)15-3-5-19-20(9-15)27-12-26-19/h2-9,11H,10,12H2,1H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.45E+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))
BDBM50342918
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylfuran-3-y...)
Show SMILES Cc1occc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-13-16(6-7-25-13)10-22-21-17-8-14(2-4-18(17)23-11-24-21)15-3-5-19-20(9-15)27-12-26-19/h2-9,11H,10,12H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 86n/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))
BDBM50342918
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylfuran-3-y...)
Show SMILES Cc1occc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-13-16(6-7-25-13)10-22-21-17-8-14(2-4-18(17)23-11-24-21)15-3-5-19-20(9-15)27-12-26-19/h2-9,11H,10,12H2,1H3,(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 47n/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))
BDBM50342918
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylfuran-3-y...)
Show SMILES Cc1occc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-13-16(6-7-25-13)10-22-21-17-8-14(2-4-18(17)23-11-24-21)15-3-5-19-20(9-15)27-12-26-19/h2-9,11H,10,12H2,1H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/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 tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50342918
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylfuran-3-y...)
Show SMILES Cc1occc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-13-16(6-7-25-13)10-22-21-17-8-14(2-4-18(17)23-11-24-21)15-3-5-19-20(9-15)27-12-26-19/h2-9,11H,10,12H2,1H3,(H,22,23,24)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 431n/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