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BDBM50097862 CHEMBL3589673

SMILES: COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1

InChI Key: InChIKey=JWICEQLMDWKZGQ-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 = 50097862   
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 CLK1


(Mus musculus)
BDBM50097862
PNG
(CHEMBL3589673)
Show SMILES COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-12-10(7-8)15-13(16(19-12)17(21)22)9-3-2-4-11(18)14(9)20-15/h2-7,20H,1H3,(H,21,22)
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MMDB

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Article
PubMed
n/an/a 100n/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
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50097862
PNG
(CHEMBL3589673)
Show SMILES COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-12-10(7-8)15-13(16(19-12)17(21)22)9-3-2-4-11(18)14(9)20-15/h2-7,20H,1H3,(H,21,22)
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PC sid
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Article
PubMed
n/an/a 210n/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 tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097862
PNG
(CHEMBL3589673)
Show SMILES COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-12-10(7-8)15-13(16(19-12)17(21)22)9-3-2-4-11(18)14(9)20-15/h2-7,20H,1H3,(H,21,22)
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PubMed
n/an/a 39n/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))
BDBM50097862
PNG
(CHEMBL3589673)
Show SMILES COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-12-10(7-8)15-13(16(19-12)17(21)22)9-3-2-4-11(18)14(9)20-15/h2-7,20H,1H3,(H,21,22)
PDB
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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))
BDBM50097862
PNG
(CHEMBL3589673)
Show SMILES COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-12-10(7-8)15-13(16(19-12)17(21)22)9-3-2-4-11(18)14(9)20-15/h2-7,20H,1H3,(H,21,22)
PDB
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NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem

Patents

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