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
null
SMILES:
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
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
18
hits for monomerid = 50549846
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
22
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of IRAK4 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of SRC (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of ROCK1 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of PLK1 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK2 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of FLT3 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of GSK3B (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of SYK (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of JAK2 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of JNK3 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of KDR (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MET (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of PKA (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>7.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DNA-PK (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG by planar patch clamp method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.10E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CYP2C9 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human))
BDBM50549846
(CHEMBL4764646)
Show SMILES
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
600
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of PI3Kgamma in human THP-1 cells assessed as reduction in Akt phosphorylation at Ser473 residue
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI:
10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Search and Browse
