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null
SMILES:
C[C@@H](Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)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
4
hits for monomerid = 602684
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 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human))
BDBM602684
(6-Chloro-3-[[(1R)-1-[2-(4,4- dimethyl-1-piperidyl)...)
Show SMILES
C[C@@H](Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1 |r|
Show InChI
PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
<500
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q28K7F74
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R]
(Homo sapiens (Human))
BDBM602684
(6-Chloro-3-[[(1R)-1-[2-(4,4- dimethyl-1-piperidyl)...)
Show SMILES
C[C@@H](Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1 |r|
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
<500
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q2N58RBV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human))
BDBM602684
(6-Chloro-3-[[(1R)-1-[2-(4,4- dimethyl-1-piperidyl)...)
Show SMILES
C[C@@H](Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1 |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
<500
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q2N58RBV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R]
(Homo sapiens (Human))
BDBM602684
(6-Chloro-3-[[(1R)-1-[2-(4,4- dimethyl-1-piperidyl)...)
Show SMILES
C[C@@H](Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1 |r|
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
<500
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
BindingDB Entry DOI:
10.7270/Q28K7F74
More data for this
Ligand-Target Pair
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