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Target
Sequence
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Ki
IC50
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EC50
Rate constants
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ΔH°
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Ki
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null
SMILES:
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
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 = 50599595
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
Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha
(Homo sapiens (Human))
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
58
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 5-kinase type-1 beta
(Homo sapiens)
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
46
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
(Homo sapiens (Human))
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
39
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human))
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
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
1.20E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human))
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
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
3.90E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human))
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human))
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
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
1.10E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human))
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human))
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta
(Homo sapiens (Human))
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
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
520
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human))
BDBM50599595
(CHEMBL5206569)
Show SMILES
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
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
4.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116557
BindingDB Entry DOI:
10.7270/Q23J3J18
More data for this
Ligand-Target Pair
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