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SMILES: CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1

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 3 hits for monomerid = 50575903   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50575903
PNG
(CHEMBL4858121)
Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1 |r,wU:15.15,17.20,wD:8.7,(5.22,-48.01,;6.72,-47.68,;7.19,-46.21,;6.28,-44.98,;7.17,-43.73,;8.63,-44.19,;9.97,-43.42,;9.96,-41.88,;11.29,-41.1,;12.7,-41.71,;13.72,-40.56,;12.94,-39.23,;11.44,-39.56,;13.56,-37.82,;12.65,-36.58,;15.09,-37.66,;16.29,-38.62,;17.25,-37.42,;16.05,-36.46,;18.78,-37.25,;19.7,-38.49,;11.3,-44.17,;11.32,-45.71,;9.98,-46.49,;8.64,-45.73,;4.74,-44.99,;3.96,-43.66,;2.5,-43.58,;1.66,-45.01,;.12,-45.02,;2.45,-46.34,;3.99,-46.32,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.800n/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 delta isoform


(Homo sapiens (Human))
BDBM50575903
PNG
(CHEMBL4858121)
Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1 |r,wU:15.15,17.20,wD:8.7,(5.22,-48.01,;6.72,-47.68,;7.19,-46.21,;6.28,-44.98,;7.17,-43.73,;8.63,-44.19,;9.97,-43.42,;9.96,-41.88,;11.29,-41.1,;12.7,-41.71,;13.72,-40.56,;12.94,-39.23,;11.44,-39.56,;13.56,-37.82,;12.65,-36.58,;15.09,-37.66,;16.29,-38.62,;17.25,-37.42,;16.05,-36.46,;18.78,-37.25,;19.7,-38.49,;11.3,-44.17,;11.32,-45.71,;9.98,-46.49,;8.64,-45.73,;4.74,-44.99,;3.96,-43.66,;2.5,-43.58,;1.66,-45.01,;.12,-45.02,;2.45,-46.34,;3.99,-46.32,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 26n/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 delta isoform


(Homo sapiens (Human))
BDBM50575903
PNG
(CHEMBL4858121)
Show SMILES CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1 |r,wU:15.15,17.20,wD:8.7,(5.22,-48.01,;6.72,-47.68,;7.19,-46.21,;6.28,-44.98,;7.17,-43.73,;8.63,-44.19,;9.97,-43.42,;9.96,-41.88,;11.29,-41.1,;12.7,-41.71,;13.72,-40.56,;12.94,-39.23,;11.44,-39.56,;13.56,-37.82,;12.65,-36.58,;15.09,-37.66,;16.29,-38.62,;17.25,-37.42,;16.05,-36.46,;18.78,-37.25,;19.7,-38.49,;11.3,-44.17,;11.32,-45.71,;9.98,-46.49,;8.64,-45.73,;4.74,-44.99,;3.96,-43.66,;2.5,-43.58,;1.66,-45.01,;.12,-45.02,;2.45,-46.34,;3.99,-46.32,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 34n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair