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SMILES: CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CCC(C)(C)CC1)c(C#N)c2=O

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 = 602722   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM602722
PNG
(US11649227, Example 392 | US20230286960, Example 3...)
Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CCC(C)(C)CC1)c(C#N)c2=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 750n/an/an/an/an/an/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))
BDBM602722
PNG
(US11649227, Example 392 | US20230286960, Example 3...)
Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CCC(C)(C)CC1)c(C#N)c2=O
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 750n/an/an/an/an/an/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))
BDBM602722
PNG
(US11649227, Example 392 | US20230286960, Example 3...)
Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CCC(C)(C)CC1)c(C#N)c2=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 750n/an/an/an/an/an/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))
BDBM602722
PNG
(US11649227, Example 392 | US20230286960, Example 3...)
Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CCC(C)(C)CC1)c(C#N)c2=O
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 750n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28K7F74
More data for this
Ligand-Target Pair