BindingDB logo
myBDB logout

null

SMILES: C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1

InChI Key: InChIKey=LLLCZYJIHWNIHU-VIFPVBQESA-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 6 hits for monomerid = 198028   
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))
BDBM198028
PNG
(US9221795, 24)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
Show InChI InChI=1S/C20H15ClFN9O/c1-9(27-17-11(7-23)16(24)29-20(25)30-17)18-28-15-13(22)5-4-12(21)14(15)19(32)31(18)10-3-2-6-26-8-10/h2-6,8-9H,1H3,(H5,24,25,27,29,30)/t9-/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 0.400n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...


US Patent US9221795 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W8T
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM198028
PNG
(US9221795, 24)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
Show InChI InChI=1S/C20H15ClFN9O/c1-9(27-17-11(7-23)16(24)29-20(25)30-17)18-28-15-13(22)5-4-12(21)14(15)19(32)31(18)10-3-2-6-26-8-10/h2-6,8-9H,1H3,(H5,24,25,27,29,30)/t9-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.400n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM198028
PNG
(US9221795, 24)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
Show InChI InChI=1S/C20H15ClFN9O/c1-9(27-17-11(7-23)16(24)29-20(25)30-17)18-28-15-13(22)5-4-12(21)14(15)19(32)31(18)10-3-2-6-26-8-10/h2-6,8-9H,1H3,(H5,24,25,27,29,30)/t9-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 0.400n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM198028
PNG
(US9221795, 24)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
Show InChI InChI=1S/C20H15ClFN9O/c1-9(27-17-11(7-23)16(24)29-20(25)30-17)18-28-15-13(22)5-4-12(21)14(15)19(32)31(18)10-3-2-6-26-8-10/h2-6,8-9H,1H3,(H5,24,25,27,29,30)/t9-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 46n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM198028
PNG
(US9221795, 24)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
Show InChI InChI=1S/C20H15ClFN9O/c1-9(27-17-11(7-23)16(24)29-20(25)30-17)18-28-15-13(22)5-4-12(21)14(15)19(32)31(18)10-3-2-6-26-8-10/h2-6,8-9H,1H3,(H5,24,25,27,29,30)/t9-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 51n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM198028
PNG
(US9221795, 24)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
Show InChI InChI=1S/C20H15ClFN9O/c1-9(27-17-11(7-23)16(24)29-20(25)30-17)18-28-15-13(22)5-4-12(21)14(15)19(32)31(18)10-3-2-6-26-8-10/h2-6,8-9H,1H3,(H5,24,25,27,29,30)/t9-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 770n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair