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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
Kd
EC50
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ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Found
15
hits of ic50 data for polymerid = 1023
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
PI3K/PI4K catalytic domain-containing protein
()
BDBM533790
(Methyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)...)
Show SMILES
CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
MCE
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
550
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533764
(N-(4-cyanophenyl)-N-methyl-3-(4-(trifluoromethyl)p...)
Show SMILES
COC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
550
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533865
(Methyl 2-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1...)
Show SMILES
COC(=O)c1cc(Cl)ccc1N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
550
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533812
(2-Morpholinoethyl 2-chloro-5-(N-methyl-3-(4-(methy...)
Show SMILES
CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OCCN1CCOCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
550
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533793
(2-Chloro-5-(N-methyl-3-(4-(methylcarbamoyl)phenyl)...)
Show SMILES
CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(O)=O
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
550
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533860
(Methyl 5-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1...)
Show SMILES
COC(=O)c1cc(ccc1OC(F)(F)F)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533862
(Methyl 5-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1...)
Show SMILES
COC(=O)c1cc(ccc1C#N)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533863
(WO2022079616, Example 2.1)
Show SMILES
CNC(=O)c1ccc(cc1)-c1cnc2cnc(cn12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533864
(Methyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)...)
Show SMILES
CNC(=O)c1ccc(cc1)-c1cnn2cnc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533857
(Methyl 2-chloro-5-(3-(4-(methylcarbamoyl)phenyl)py...)
Show SMILES
CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)Nc1ccc(Cl)c(c1)C(=O)OC
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533856
(Methyl 5-(3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyri...)
Show SMILES
COC(=O)c1cc(NC(=O)c2ccn3ncc(-c4ccc(cc4)C(N)=O)c3c2)ccc1Cl
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533837
(Methyl 2-chloro-5-(N-methyl-3-(3-methyl-4-(carbamo...)
Show SMILES
CNC(=O)c1ccc(cc1C)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533813
(Methyl 2-chloro-5-(N-methyl-3-(2-methyl-4-(carbamo...)
Show SMILES
COC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3C)C(N)=O)c2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533783
(WO2022079616, Example 1.14 | rac-1-((Ethoxycarbony...)
Show SMILES
CCOC(=O)OC(C)OC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein
()
BDBM533771
(2-Morpholinoethyl 5-(3-(4-carbamoylphenyl)-N-methy...)
Show SMILES
CN(C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1)c1ccc(Cl)c(c1)C(=O)OCCN1CCOCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
WIPO WO2022079616
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q241717D
More data for this
Ligand-Target Pair
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