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SMILES: CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O

InChI Key:

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 10 hits for monomerid = 50574282   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50574282
PNG
(CHEMBL4868568)
Show SMILES CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) in presence of 1 mM ATP without preincubation


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI: 10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50574282
PNG
(CHEMBL4868568)
Show SMILES CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) in presence of 1 mM ATP with preincubation


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI: 10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50574282
PNG
(CHEMBL4868568)
Show SMILES CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 212n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CLK1 (unknown origin) in presence of 1 mM ATP without preincubation


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI: 10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50574282
PNG
(CHEMBL4868568)
Show SMILES CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 206n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CLK1 (unknown origin) in presence of 1 mM ATP with preincubation


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI: 10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50574282
PNG
(CHEMBL4868568)
Show SMILES CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDC7 in human SW-620 cells assessed as reduction in phosphorylation of MCM2 at Ser40 residue incubated for 48 hrs by Western blot analy...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI: 10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50574282
PNG
(CHEMBL4868568)
Show SMILES CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 227n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CLK2 (unknown origin) in presence of 1 mM ATP with preincubation


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI: 10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50574282
PNG
(CHEMBL4868568)
Show SMILES CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 189n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3alpha (unknown origin) in presence of 1 mM ATP without preincubation


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI: 10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50574282
PNG
(CHEMBL4868568)
Show SMILES CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3alpha (unknown origin) in presence of 1 mM ATP with preincubation


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI: 10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50574282
PNG
(CHEMBL4868568)
Show SMILES CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDC7 in human SW-620 cells assessed as reduction in phosphorylation of MCM2 at Ser53 residue incubated for 48 hrs by Western blot analy...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI: 10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50574282
PNG
(CHEMBL4868568)
Show SMILES CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CLK2 (unknown origin) in presence of 1 mM ATP without preincubation


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI: 10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair