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SMILES: COc1cncc(c1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=VMEIPOXCXDPPPG-VWLOTQADSA-N

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 = 362692   
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))
BDBM362692
PNG
(US9840498, 18)
Show SMILES COc1cncc(c1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C30H26N8O2/c1-18-23(15-31)27(36-30(32)34-18)37-13-7-12-25(37)28-35-24-11-6-10-22(19-14-21(40-2)17-33-16-19)26(24)29(39)38(28)20-8-4-3-5-9-20/h3-6,8-11,14,16-17,25H,7,12-13H2,1-2H3,(H2,32,34,36)/t25-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 56n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...


US Patent US9840498 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C7X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM362692
PNG
(US9840498, 18)
Show SMILES COc1cncc(c1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C30H26N8O2/c1-18-23(15-31)27(36-30(32)34-18)37-13-7-12-25(37)28-35-24-11-6-10-22(19-14-21(40-2)17-33-16-19)26(24)29(39)38(28)20-8-4-3-5-9-20/h3-6,8-11,14,16-17,25H,7,12-13H2,1-2H3,(H2,32,34,36)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 89n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...


US Patent US9840498 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C7X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM362692
PNG
(US9840498, 18)
Show SMILES COc1cncc(c1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C30H26N8O2/c1-18-23(15-31)27(36-30(32)34-18)37-13-7-12-25(37)28-35-24-11-6-10-22(19-14-21(40-2)17-33-16-19)26(24)29(39)38(28)20-8-4-3-5-9-20/h3-6,8-11,14,16-17,25H,7,12-13H2,1-2H3,(H2,32,34,36)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...


US Patent US9840498 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C7X
More data for this
Ligand-Target Pair