Home
Info
Download
About us
Email us
Contribute data
Web Services
Beta Site
myBDB
logout
Search and Browse
Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Pathways
Source Organism
Number of Compounds
Monomer List in csv
Het List in SDF
Compound
FDA Drugs
Important Compounds
Chemical Structure
Name
SMILES
Number of Data
/
Targets
Special tools
3D Structure Series
Find My Compound's Targets
Find Compounds for My Targets
Do Virtual Screening
SCOP
Citation
Author
Journal/Citation
Institution
PubMed
PubChem BioAssay
US Patent
Special Data Sets
D3R
Host Guest Systems
Prot-Lig Validation Sets
Other Databases
PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
Download
All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
Contribute data
Sent Comments
Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 366.3
BDBM50581211
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
16
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1B (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1A (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
7
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1A (unknown origin) assessed as accumulation of ADP by ADP hunter plus assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1A expressed in human U2OS cells assessed as reduction in autophosphorylation at S520 residue incubated for 5 hrs
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D Structure (crystal)
Dual specificity protein kinase CLK1
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CLK (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK2 (unknown origin) by ADP hunter plus assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
140
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK3 (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
250
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK2 (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 4
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
3.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK4 (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK9 (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
n/a
<1
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1A-Nanoluc (unknown origin) expressed in HEK293 cells measured after 2 hrs by NanoBRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
0.240
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human wild type DYRK1A (H129 to S509) expressed in mammalian cells by DiscoveryX Kinomescan binding assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D Structure (crystal)
Dual specificity protein kinase CLK1
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
n/a
2.60
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human wild type CLK1 (H129 to S509) expressed in mammalian cells by DiscoveryX Kinomescan binding assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
n/a
0.900
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human partial length CLK2 (D144/R498) expressed in bacterial system by DiscoveryX Kinomescan binding assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
n/a
0.800
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human partial length CLK4 (R135/K481) expressed in bacterial system by DiscoveryX Kinomescan binding assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human))
BDBM50581211
(CHEMBL5093650)
Show SMILES
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
n/a
0.0500
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human wild type DYRK1B (M1 to S629) expressed in bacterial system by DiscoveryX Kinomescan binding assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair