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BDBM50306888 4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline::CHEMBL603097::SCH-47089

SMILES: COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1

InChI Key: InChIKey=AWSLSQGTMWLKRH-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50306888   
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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50306888
PNG
(4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline...)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-7-11-12(18-3)9-6-8(17-2)4-5-10(9)14-13(11)16-15-7/h4-6H,1-3H3,(H,14,15,16)
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PC cid
PC sid
UniChem
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n/an/a 200n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDC2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
BindingDB Entry DOI: 10.7270/Q2QF8TTB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306888
PNG
(4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline...)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-7-11-12(18-3)9-6-8(17-2)4-5-10(9)14-13(11)16-15-7/h4-6H,1-3H3,(H,14,15,16)
PDB
MMDB

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UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 20n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
BindingDB Entry DOI: 10.7270/Q2QF8TTB
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50306888
PNG
(4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline...)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-7-11-12(18-3)9-6-8(17-2)4-5-10(9)14-13(11)16-15-7/h4-6H,1-3H3,(H,14,15,16)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
BindingDB Entry DOI: 10.7270/Q2QF8TTB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50306888
PNG
(4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline...)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-7-11-12(18-3)9-6-8(17-2)4-5-10(9)14-13(11)16-15-7/h4-6H,1-3H3,(H,14,15,16)
PDB
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NCI pathway
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n/an/a 3.50E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of AUR2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
BindingDB Entry DOI: 10.7270/Q2QF8TTB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50306888
PNG
(4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline...)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-7-11-12(18-3)9-6-8(17-2)4-5-10(9)14-13(11)16-15-7/h4-6H,1-3H3,(H,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
BindingDB Entry DOI: 10.7270/Q2QF8TTB
More data for this
Ligand-Target Pair