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SMILES: COc1ncc(s1)-c1c(F)ccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=OPNRYAQJSHIIBL-JXFKEZNVSA-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 = 362683   
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))
BDBM362683
PNG
(US9840498, 9)
Show SMILES COc1ncc(s1)-c1c(F)ccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C28H23FN8O3S/c1-14-17(11-30)24(35-27(31)33-14)36-13-16(38)10-20(36)25-34-19-9-8-18(29)22(21-12-32-28(40-2)41-21)23(19)26(39)37(25)15-6-4-3-5-7-15/h3-9,12,16,20,38H,10,13H2,1-2H3,(H2,31,33,35)/t16-,20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 53n/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))
BDBM362683
PNG
(US9840498, 9)
Show SMILES COc1ncc(s1)-c1c(F)ccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C28H23FN8O3S/c1-14-17(11-30)24(35-27(31)33-14)36-13-16(38)10-20(36)25-34-19-9-8-18(29)22(21-12-32-28(40-2)41-21)23(19)26(39)37(25)15-6-4-3-5-7-15/h3-9,12,16,20,38H,10,13H2,1-2H3,(H2,31,33,35)/t16-,20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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))
BDBM362683
PNG
(US9840498, 9)
Show SMILES COc1ncc(s1)-c1c(F)ccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C28H23FN8O3S/c1-14-17(11-30)24(35-27(31)33-14)36-13-16(38)10-20(36)25-34-19-9-8-18(29)22(21-12-32-28(40-2)41-21)23(19)26(39)37(25)15-6-4-3-5-7-15/h3-9,12,16,20,38H,10,13H2,1-2H3,(H2,31,33,35)/t16-,20-/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 8n/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