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BDBM50097872 CHEMBL3589663

SMILES: COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O

InChI Key: InChIKey=TWECFLXNJZAZBE-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 = 50097872   
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 9


(Homo sapiens (Human))
BDBM50097872
PNG
(CHEMBL3589663)
Show SMILES COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
Show InChI InChI=1S/C17H12N2O3/c1-22-12-8-4-6-10-13-15(19-14(10)12)9-5-2-3-7-11(9)18-16(13)17(20)21/h2-8,19H,1H3,(H,20,21)
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n/an/a 120n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9 expressed in insect cells using CDK7/9 tide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50097872
PNG
(CHEMBL3589663)
Show SMILES COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
Show InChI InChI=1S/C17H12N2O3/c1-22-12-8-4-6-10-13-15(19-14(10)12)9-5-2-3-7-11(9)18-16(13)17(20)21/h2-8,19H,1H3,(H,20,21)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097872
PNG
(CHEMBL3589663)
Show SMILES COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
Show InChI InChI=1S/C17H12N2O3/c1-22-12-8-4-6-10-13-15(19-14(10)12)9-5-2-3-7-11(9)18-16(13)17(20)21/h2-8,19H,1H3,(H,20,21)
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n/an/a 32n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50097872
PNG
(CHEMBL3589663)
Show SMILES COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
Show InChI InChI=1S/C17H12N2O3/c1-22-12-8-4-6-10-13-15(19-14(10)12)9-5-2-3-7-11(9)18-16(13)17(20)21/h2-8,19H,1H3,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50097872
PNG
(CHEMBL3589663)
Show SMILES COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
Show InChI InChI=1S/C17H12N2O3/c1-22-12-8-4-6-10-13-15(19-14(10)12)9-5-2-3-7-11(9)18-16(13)17(20)21/h2-8,19H,1H3,(H,20,21)
PDB
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NCI pathway
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair