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SMILES: O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1

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 11 hits for monomerid = 50594765   
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
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha 3


(Homo sapiens)
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3


(Homo sapiens (Human))
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair