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SMILES: Cc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=VWMHHPVTFRQINI-DEOSSOPVSA-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 = 362693   
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))
BDBM362693
PNG
(US9840498, 19)
Show SMILES Cc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C29H25N9O/c1-17-22(14-30)26(36-29(31)34-17)37-13-7-12-24(37)27-35-23-11-6-10-21(19-15-32-18(2)33-16-19)25(23)28(39)38(27)20-8-4-3-5-9-20/h3-6,8-11,15-16,24H,7,12-13H2,1-2H3,(H2,31,34,36)/t24-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 820n/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))
BDBM362693
PNG
(US9840498, 19)
Show SMILES Cc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C29H25N9O/c1-17-22(14-30)26(36-29(31)34-17)37-13-7-12-24(37)27-35-23-11-6-10-21(19-15-32-18(2)33-16-19)25(23)28(39)38(27)20-8-4-3-5-9-20/h3-6,8-11,15-16,24H,7,12-13H2,1-2H3,(H2,31,34,36)/t24-/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 390n/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))
BDBM362693
PNG
(US9840498, 19)
Show SMILES Cc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C29H25N9O/c1-17-22(14-30)26(36-29(31)34-17)37-13-7-12-24(37)27-35-23-11-6-10-21(19-15-32-18(2)33-16-19)25(23)28(39)38(27)20-8-4-3-5-9-20/h3-6,8-11,15-16,24H,7,12-13H2,1-2H3,(H2,31,34,36)/t24-/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 17n/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