BindingDB logo
myBDB logout

BDBM350405 US10208066, Compound 22::US10611777, Compound 22

SMILES: C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(C)n2nc1-c1ccccc1

InChI Key: InChIKey=ONZNRDPLVLNHSG-ZDUSSCGKSA-N

Data: 4 IC50

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 4 hits for monomerid = 350405   
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 delta isoform


(Homo sapiens (Human))
BDBM350405
PNG
(US10208066, Compound 22 | US10611777, Compound 22)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(C)n2nc1-c1ccccc1 |r|
Show InChI InChI=1S/C20H18N8/c1-12-10-23-17-8-15(18(27-28(12)17)14-6-4-3-5-7-14)13(2)26-20-16(9-21)19(22)24-11-25-20/h3-8,10-11,13H,1-2H3,(H3,22,24,25,26)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...


US Patent US10208066 (2019)


BindingDB Entry DOI: 10.7270/Q2319Z0W
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM350405
PNG
(US10208066, Compound 22 | US10611777, Compound 22)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(C)n2nc1-c1ccccc1 |r|
Show InChI InChI=1S/C20H18N8/c1-12-10-23-17-8-15(18(27-28(12)17)14-6-4-3-5-7-14)13(2)26-20-16(9-21)19(22)24-11-25-20/h3-8,10-11,13H,1-2H3,(H3,22,24,25,26)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 322n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...


US Patent US10611777 (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM350405
PNG
(US10208066, Compound 22 | US10611777, Compound 22)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(C)n2nc1-c1ccccc1 |r|
Show InChI InChI=1S/C20H18N8/c1-12-10-23-17-8-15(18(27-28(12)17)14-6-4-3-5-7-14)13(2)26-20-16(9-21)19(22)24-11-25-20/h3-8,10-11,13H,1-2H3,(H3,22,24,25,26)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...


US Patent US10611777 (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM350405
PNG
(US10208066, Compound 22 | US10611777, Compound 22)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(C)n2nc1-c1ccccc1 |r|
Show InChI InChI=1S/C20H18N8/c1-12-10-23-17-8-15(18(27-28(12)17)14-6-4-3-5-7-14)13(2)26-20-16(9-21)19(22)24-11-25-20/h3-8,10-11,13H,1-2H3,(H3,22,24,25,26)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 322n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...


US Patent US10208066 (2019)


BindingDB Entry DOI: 10.7270/Q2319Z0W
More data for this
Ligand-Target Pair