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SMILES: COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N

InChI Key: InChIKey=WKZWNOVBZGKRGR-UHFFFAOYSA-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 4 hits for monomerid = 261177   
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 beta/delta isoform


(Homo sapiens (Human))
BDBM261177
PNG
(4-(3-(1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N
Show InChI InChI=1S/C24H28ClN7O2/c1-12-17(25)10-16(14(3)31-23-20(13(2)26)22(27)29-11-30-23)21(34-6)19(12)15-7-8-28-18(9-15)24(33)32(4)5/h7-11,14,26H,1-6H3,(H3,27,29,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a6.725



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms α,...


US Patent US9707233 (2017)


BindingDB Entry DOI: 10.7270/Q2S46V0R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261177
PNG
(4-(3-(1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N
Show InChI InChI=1S/C24H28ClN7O2/c1-12-17(25)10-16(14(3)31-23-20(13(2)26)22(27)29-11-30-23)21(34-6)19(12)15-7-8-28-18(9-15)24(33)32(4)5/h7-11,14,26H,1-6H3,(H3,27,29,30,31)
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<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261177
PNG
(4-(3-(1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N
Show InChI InChI=1S/C24H28ClN7O2/c1-12-17(25)10-16(14(3)31-23-20(13(2)26)22(27)29-11-30-23)21(34-6)19(12)15-7-8-28-18(9-15)24(33)32(4)5/h7-11,14,26H,1-6H3,(H3,27,29,30,31)
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<10n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
[γ-33P]ATP (10 mCi/mL) was purchased from PerkinElmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


US Patent US9730939 (2017)


BindingDB Entry DOI: 10.7270/Q2GB265W
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261177
PNG
(4-(3-(1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N
Show InChI InChI=1S/C24H28ClN7O2/c1-12-17(25)10-16(14(3)31-23-20(13(2)26)22(27)29-11-30-23)21(34-6)19(12)15-7-8-28-18(9-15)24(33)32(4)5/h7-11,14,26H,1-6H3,(H3,27,29,30,31)
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<10n/an/an/an/a6.725



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
[γ-33P]ATP (10 mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Pt...


US Patent US10092570 (2018)


BindingDB Entry DOI: 10.7270/Q2PZ5BW5
More data for this
Ligand-Target Pair