BindingDB logo
myBDB logout

BDBM288909 US10092563, Compound 44

SMILES: CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1

InChI Key: InChIKey=RUNBTKNKXMSHDB-HNNXBMFYSA-N

Data: 3 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 3 hits for monomerid = 288909   
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 3-kinase regulatory subunit beta


(Homo sapiens (human))
BDBM288909
PNG
(US10092563, Compound 44)
Show SMILES CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1
Show InChI InChI=1S/C21H24ClN9O/c1-3-15(27-18-13(11-23)12(2)26-21(24)29-18)19-28-16-6-4-5-14(22)17(16)20(32)31(19)30-9-7-25-8-10-30/h4-6,15,25H,3,7-10H2,1-2H3,(H3,24,26,27,29)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+3n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIPS for binding to the GRP-1 plecks...


US Patent US10092563 (2018)

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


(Homo sapiens (human))
BDBM288909
PNG
(US10092563, Compound 44)
Show SMILES CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1
Show InChI InChI=1S/C21H24ClN9O/c1-3-15(27-18-13(11-23)12(2)26-21(24)29-18)19-28-16-6-4-5-14(22)17(16)20(32)31(19)30-9-7-25-8-10-30/h4-6,15,25H,3,7-10H2,1-2H3,(H3,24,26,27,29)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+6n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIPS for binding to the GRP-1 plecks...


US Patent US10092563 (2018)

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


(Homo sapiens (human))
BDBM288909
PNG
(US10092563, Compound 44)
Show SMILES CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1
Show InChI InChI=1S/C21H24ClN9O/c1-3-15(27-18-13(11-23)12(2)26-21(24)29-18)19-28-16-6-4-5-14(22)17(16)20(32)31(19)30-9-7-25-8-10-30/h4-6,15,25H,3,7-10H2,1-2H3,(H3,24,26,27,29)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIPS for binding to the GRP-1 plecks...


US Patent US10092563 (2018)

More data for this
Ligand-Target Pair