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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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null
SMILES:
CN(C)CC#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
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
5
hits for monomerid = 50590939
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
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens)
BDBM50590939
(CHEMBL5174830)
Show SMILES
CN(C)CC#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
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
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI:
10.7270/Q2MP5771
More data for this
Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens)
BDBM50590939
(CHEMBL5174830)
Show SMILES
CN(C)CC#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI:
10.7270/Q2MP5771
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 5
(Homo sapiens (Human))
BDBM50590939
(CHEMBL5174830)
Show SMILES
CN(C)CC#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
Show InChI
NCI pathway
KEGG
UniProtKB/SwissProt
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
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI:
10.7270/Q2MP5771
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human))
BDBM50590939
(CHEMBL5174830)
Show SMILES
CN(C)CC#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
265
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI:
10.7270/Q2MP5771
More data for this
Ligand-Target Pair
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens)
BDBM50590939
(CHEMBL5174830)
Show SMILES
CN(C)CC#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI:
10.7270/Q2MP5771
More data for this
Ligand-Target Pair
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