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SMILES: Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1

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 30 hits for monomerid = 50555464   
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 delta isoform


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 63n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 260n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.660n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 270n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 87n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 92n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 101n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.05E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 594n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 220n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 12n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 100n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 240n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 240n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair