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SMILES: CO[C@H]1C[C@H](N(C1)c1nc(N)nc(C)c1C#N)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=GJYCAYLNRYZYBQ-RDPSFJRHSA-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 = 362684   
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))
BDBM362684
PNG
(US9840498, 10)
Show SMILES CO[C@H]1C[C@H](N(C1)c1nc(N)nc(C)c1C#N)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H27N9O2/c1-17-22(13-30)26(35-29(31)33-17)37-16-20(40-3)12-24(37)27-34-23-11-7-10-21(18-14-32-36(2)15-18)25(23)28(39)38(27)19-8-5-4-6-9-19/h4-11,14-15,20,24H,12,16H2,1-3H3,(H2,31,33,35)/t20-,24-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.30E+3n/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))
BDBM362684
PNG
(US9840498, 10)
Show SMILES CO[C@H]1C[C@H](N(C1)c1nc(N)nc(C)c1C#N)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H27N9O2/c1-17-22(13-30)26(35-29(31)33-17)37-16-20(40-3)12-24(37)27-34-23-11-7-10-21(18-14-32-36(2)15-18)25(23)28(39)38(27)19-8-5-4-6-9-19/h4-11,14-15,20,24H,12,16H2,1-3H3,(H2,31,33,35)/t20-,24-/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 38n/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))
BDBM362684
PNG
(US9840498, 10)
Show SMILES CO[C@H]1C[C@H](N(C1)c1nc(N)nc(C)c1C#N)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H27N9O2/c1-17-22(13-30)26(35-29(31)33-17)37-16-20(40-3)12-24(37)27-34-23-11-7-10-21(18-14-32-36(2)15-18)25(23)28(39)38(27)19-8-5-4-6-9-19/h4-11,14-15,20,24H,12,16H2,1-3H3,(H2,31,33,35)/t20-,24-/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 6n/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