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SMILES: COc1cncc(c1)-c1cccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=GVQUTCQPZXNVNN-CPJSRVTESA-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 = 362698   
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))
BDBM362698
PNG
(US9840498, 25)
Show SMILES COc1cncc(c1)-c1cccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C30H26N8O3/c1-17-23(13-31)27(36-30(32)34-17)37-16-20(39)12-25(37)28-35-24-10-6-9-22(18-11-21(41-2)15-33-14-18)26(24)29(40)38(28)19-7-4-3-5-8-19/h3-11,14-15,20,25,39H,12,16H2,1-2H3,(H2,32,34,36)/t20-,25-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 48n/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))
BDBM362698
PNG
(US9840498, 25)
Show SMILES COc1cncc(c1)-c1cccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C30H26N8O3/c1-17-23(13-31)27(36-30(32)34-17)37-16-20(39)12-25(37)28-35-24-10-6-9-22(18-11-21(41-2)15-33-14-18)26(24)29(40)38(28)19-7-4-3-5-8-19/h3-11,14-15,20,25,39H,12,16H2,1-2H3,(H2,32,34,36)/t20-,25-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 65n/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))
BDBM362698
PNG
(US9840498, 25)
Show SMILES COc1cncc(c1)-c1cccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C30H26N8O3/c1-17-23(13-31)27(36-30(32)34-17)37-16-20(39)12-25(37)28-35-24-10-6-9-22(18-11-21(41-2)15-33-14-18)26(24)29(40)38(28)19-7-4-3-5-8-19/h3-11,14-15,20,25,39H,12,16H2,1-2H3,(H2,32,34,36)/t20-,25-/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 5n/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