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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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null
SMILES:
COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c2cc1OC
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
4
hits for monomerid = 50578189
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
Serine/threonine-protein kinase TNNI3K
(Homo sapiens (Human))
BDBM50578189
(CHEMBL4856992)
Show SMILES
COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c2cc1OC
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
23
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of TNNI3K (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00700
BindingDB Entry DOI:
10.7270/Q23X8BG9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human))
BDBM50578189
(CHEMBL4856992)
Show SMILES
COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c2cc1OC
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
63
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of B-Raf (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00700
BindingDB Entry DOI:
10.7270/Q23X8BG9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14
(Homo sapiens (Human))
BDBM50578189
(CHEMBL4856992)
Show SMILES
COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c2cc1OC
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
800
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of p38alpha (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00700
BindingDB Entry DOI:
10.7270/Q23X8BG9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human))
BDBM50578189
(CHEMBL4856992)
Show SMILES
COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c2cc1OC
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
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of GST-6His tagged VEGFR2 (unknown origin) using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 peptide substrate incubated for 90 mins by HTRF assa...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00700
BindingDB Entry DOI:
10.7270/Q23X8BG9
More data for this
Ligand-Target Pair
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