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BDBM50259521 CHEMBL4082981

SMILES: CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1

InChI Key: InChIKey=QQCCFMCJVKPTMI-UGPWUYPHNA-N

Data: 11 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 11 hits for monomerid = 50259521   
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 tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli using using woodtide as substrate after 30 mins by [gamma-33P]ATP base...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem

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PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]DAMGO binding to Opioid receptor mu


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
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UniChem

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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]DAMGO binding to Opioid receptor mu


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
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PubMed
n/an/a 220n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
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UniChem

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PubMed
n/an/a 710n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
PDB
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KEGG

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B.MOAD
GoogleScholar
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UniChem

Patents


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PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
PDB
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NCI pathway
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UniChem

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PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
PDB
MMDB

NCI pathway
Reactome pathway
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PC sid
UniChem

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PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM50259521
PNG
(CHEMBL4082981)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1
Show InChI InChI=1/C18H18BrN5O/c1-2-13(10-25)21-17-5-6-18-20-9-16(24(18)23-17)15-8-11-7-12(19)3-4-14(11)22-15/h3-9,13,22,25H,2,10H2,1H3,(H,21,23)/t13-/s2
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


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PubMed
n/an/a 610n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based scin...


Eur J Med Chem 125: 696-709 (2017)

More data for this
Ligand-Target Pair