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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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null
SMILES:
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
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
9
hits for monomerid = 50603977
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 haspin
(Homo sapiens (Human))
BDBM50603977
(CHEMBL5189523)
Show SMILES
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.74E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI:
10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50603977
(CHEMBL5189523)
Show SMILES
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
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
2.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI:
10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7
(Homo sapiens (Human))
BDBM50603977
(CHEMBL5189523)
Show SMILES
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.20E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI:
10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human))
BDBM50603977
(CHEMBL5189523)
Show SMILES
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
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
600
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI:
10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin
(Homo sapiens (Human))
BDBM50603977
(CHEMBL5189523)
Show SMILES
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.70E+3
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI:
10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human))
BDBM50603977
(CHEMBL5189523)
Show SMILES
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.80E+3
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI:
10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human))
BDBM50603977
(CHEMBL5189523)
Show SMILES
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
7.40E+3
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI:
10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3
(Homo sapiens (Human))
BDBM50603977
(CHEMBL5189523)
Show SMILES
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
Show InChI
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
2.60E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI:
10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human))
BDBM50603977
(CHEMBL5189523)
Show SMILES
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
2.40E+3
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI:
10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
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