new BindingDB logo
myBDB logout

BDBM50342907 6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((3-methylthiophen-2-yl)methyl)quinazolin-4-amine::CHEMBL1318637

SMILES: CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

InChI Key: InChIKey=MNTINTDTQABOKE-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 = 50342907   
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))
BDBM50342907
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((3-methyl...)
Show SMILES CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-14-7-8-28-21(14)11-25(2)22-17-9-15(3-5-18(17)23-12-24-22)16-4-6-19-20(10-16)27-13-26-19/h3-10,12H,11,13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 962n/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-regulated kinases 1B


(Homo sapiens (Human))
BDBM50342907
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((3-methyl...)
Show SMILES CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-14-7-8-28-21(14)11-25(2)22-17-9-15(3-5-18(17)23-12-24-22)16-4-6-19-20(10-16)27-13-26-19/h3-10,12H,11,13H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.78E+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 specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342907
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((3-methyl...)
Show SMILES CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-14-7-8-28-21(14)11-25(2)22-17-9-15(3-5-18(17)23-12-24-22)16-4-6-19-20(10-16)27-13-26-19/h3-10,12H,11,13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 89n/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 tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342907
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((3-methyl...)
Show SMILES CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-14-7-8-28-21(14)11-25(2)22-17-9-15(3-5-18(17)23-12-24-22)16-4-6-19-20(10-16)27-13-26-19/h3-10,12H,11,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/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))
BDBM50342907
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((3-methyl...)
Show SMILES CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-14-7-8-28-21(14)11-25(2)22-17-9-15(3-5-18(17)23-12-24-22)16-4-6-19-20(10-16)27-13-26-19/h3-10,12H,11,13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/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
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50342907
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((3-methyl...)
Show SMILES CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-14-7-8-28-21(14)11-25(2)22-17-9-15(3-5-18(17)23-12-24-22)16-4-6-19-20(10-16)27-13-26-19/h3-10,12H,11,13H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
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