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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
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 = 50564363
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
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.870
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant His-tagged human FLT3 expressed in baculovirus expression system using peptide substrate incubated for 30 mins in presence ...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.320
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human FLT3 D835Y mutant in presence of ATP
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
24
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human FLT4 in presence of ATP
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
9.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human c-SRC in presence of ATP
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human FMS in presence of ATP
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human MELK in presence of ATP
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human RET in presence of ATP
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.90
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human TrkA in presence of ATP
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human TrkB in presence of ATP
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
<0.25
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to human FLT3 ITD mutant in presence of ATP by Lanthascreen Eu kinase binding assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer
(Homo sapiens (Human))
BDBM50564363
(CHEMBL4791998)
Show SMILES
Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1
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
3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human MER in presence of ATP
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112205
BindingDB Entry DOI:
10.7270/Q2VM4H1R
More data for this
Ligand-Target Pair
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