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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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Ki
IC50
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 616.1
BDBM50577194
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
6
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
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human))
BDBM50577194
(CHEMBL4874448)
Show SMILES
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
110
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human FLT4/VEGFR3
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00678
BindingDB Entry DOI:
10.7270/Q2Q2443B
More data for this
Ligand-Target Pair
Misshapen-like kinase 1
(Homo sapiens (Human))
BDBM50577194
(CHEMBL4874448)
Show SMILES
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
335
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human MINK
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00678
BindingDB Entry DOI:
10.7270/Q2Q2443B
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human))
BDBM50577194
(CHEMBL4874448)
Show SMILES
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
700
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human MELK
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00678
BindingDB Entry DOI:
10.7270/Q2Q2443B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK
(Homo sapiens (Human))
BDBM50577194
(CHEMBL4874448)
Show SMILES
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
718
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human BTK
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00678
BindingDB Entry DOI:
10.7270/Q2Q2443B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human))
BDBM50577194
(CHEMBL4874448)
Show SMILES
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
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 human KDR/VEGFR2
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00678
BindingDB Entry DOI:
10.7270/Q2Q2443B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human))
BDBM50577194
(CHEMBL4874448)
Show SMILES
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
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 human FLT1/VEGFR1
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00678
BindingDB Entry DOI:
10.7270/Q2Q2443B
More data for this
Ligand-Target Pair