Found 34 hits of ec50 data for polymerid = 2109,9133 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50168293
(CHEMBL3805430)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H17ClN8O/c1-11(26-18-13(10-23)17(24)28-21(25)29-18)19-27-15-9-5-8-14(22)16(15)20(31)30(19)12-6-3-2-4-7-12/h2-9,11H,1H3,(H5,24,25,26,28,29)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198031
(US9221795, 27)Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r| Show InChI InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3K p110delta in human basophil assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198028
(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
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198035
(BDBM198052 | US9221795, 31)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r| Show InChI InChI=1S/C20H14ClF2N9O/c1-8(28-17-11(5-24)16(25)30-20(26)31-17)18-29-15-13(23)3-2-12(21)14(15)19(33)32(18)10-4-9(22)6-27-7-10/h2-4,6-8H,1H3,(H5,25,26,28,30,31)/t8-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198006
(US9221795, 1)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r| Show InChI InChI=1S/C20H16ClN9O/c1-10(26-17-12(8-22)16(23)28-20(24)29-17)18-27-14-6-2-5-13(21)15(14)19(31)30(18)11-4-3-7-25-9-11/h2-7,9-10H,1H3,(H5,23,24,26,28,29)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198027
(US9221795, 23)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccnc1 |r| Show InChI InChI=1S/C20H15Cl2N9O/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
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50168434
(CHEMBL3805738)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C21H15F3N8O/c1-9(28-18-13(8-25)17(26)30-21(27)31-18)19-29-15-4-2-3-14(24)16(15)20(33)32(19)12-6-10(22)5-11(23)7-12/h2-7,9H,1H3,(H5,26,27,28,30,31)/t9-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as basophil degranulation by measuring CD63 surface expression on CCR3 positive cells after 60 ... |
J Med Chem 59: 3532-48 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198031
(US9221795, 27)Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r| Show InChI InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198016
(US9221795, 12)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r| Show InChI InChI=1S/C20H15ClFN9O/c1-9(27-17-12(6-23)16(24)29-20(25)30-17)18-28-14-4-2-3-13(21)15(14)19(32)31(18)11-5-10(22)7-26-8-11/h2-5,7-9H,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
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198031
(US9221795, 27)Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r| Show InChI InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3K p110delta in human basophil assessed as reduction in anti-FCepsilonR1 mAb-induced basophil activation preincubated for 60 mins fol... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198030
(US9221795, 26)Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r| Show InChI InChI=1S/C21H17ClFN9O/c1-2-14(28-18-11(8-24)17(25)30-21(26)31-18)19-29-16-13(23)6-5-12(22)15(16)20(33)32(19)10-4-3-7-27-9-10/h3-7,9,14H,2H2,1H3,(H5,25,26,28,30,31)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198031
(US9221795, 27)Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r| Show InChI InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as inhibition of BCR-induced B-cell activation |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198018
(US9221795, 14)Show SMILES COc1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r| Show InChI InChI=1S/C21H18ClN9O2/c1-10(27-18-13(7-23)17(24)29-21(25)30-18)19-28-15-5-3-4-14(22)16(15)20(32)31(19)11-6-12(33-2)9-26-8-11/h3-6,8-10H,1-2H3,(H5,24,25,27,29,30)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50563815
(CHEMBL4800080)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(c1)C#N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198017
(US9221795, 13)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(Cl)c1 |r| Show InChI InChI=1S/C20H15Cl2N9O/c1-9(27-17-12(6-23)16(24)29-20(25)30-17)18-28-14-4-2-3-13(22)15(14)19(32)31(18)11-5-10(21)7-26-8-11/h2-5,7-9H,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
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50449964
(CHEMBL4174988)Show SMILES CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(C)c2)c1 |r| Show InChI InChI=1S/C21H24ClN5O3S2/c1-11(2)17(23)20(28)26-21-25-13(4)18(31-21)14-9-16(19(22)24-10-14)27-32(29,30)15-7-5-6-12(3)8-15/h5-11,17,27H,23H2,1-4H3,(H,25,26,28)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Thr308 residues preincubated... |
Eur J Med Chem 156: 831-846 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.036
BindingDB Entry DOI: 10.7270/Q2BR8VRJ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198026
(US9221795, 22)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cccc2c(=O)n1-c1cccnc1 |r| Show InChI InChI=1S/C20H16ClN9O/c1-10(26-17-13(8-22)16(23)28-20(24)29-17)18-27-15-12(5-2-6-14(15)21)19(31)30(18)11-4-3-7-25-9-11/h2-7,9-10H,1H3,(H5,23,24,26,28,29)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198023
(US9221795, 19)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(c1)C1CC1 |r| Show InChI InChI=1S/C23H20ClN9O/c1-11(29-20-15(8-25)19(26)31-23(27)32-20)21-30-17-4-2-3-16(24)18(17)22(34)33(21)14-7-13(9-28-10-14)12-5-6-12/h2-4,7,9-12H,5-6H2,1H3,(H5,26,27,29,31,32)/t11-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
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| PDB
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| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113218
BindingDB Entry DOI: 10.7270/Q2PN99PG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB
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| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Chongqing University
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-delta (unknown origin) after 40 mins by Kinase-Glo assay |
Eur J Med Chem 157: 37-49 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.061
BindingDB Entry DOI: 10.7270/Q2ZC85KT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB
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| MMDB
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Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Chongqing University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay |
Eur J Med Chem 158: 707-719 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.002
BindingDB Entry DOI: 10.7270/Q2PK0JVH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198029
(US9221795, 25)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(F)c2c(=O)n1-c1cccnc1 |r| Show InChI InChI=1S/C20H15F2N9O/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
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KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM198022
(US9221795, 18)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H15ClF3N9O/c1-9(30-17-12(6-26)16(27)32-20(28)33-17)18-31-14-4-2-3-13(22)15(14)19(35)34(18)11-5-10(7-29-8-11)21(23,24)25/h2-5,7-9H,1H3,(H5,27,28,30,32,33)/t9-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01169
BindingDB Entry DOI: 10.7270/Q20G3PV2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50554790
(CHEMBL4781849)Show SMILES CC[C@@H](c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc12 |r| | PDB
MMDB
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KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in anti-IgM stimulated AKT T308 phosphorylation incubated for 1 hr by Western blot ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01544
BindingDB Entry DOI: 10.7270/Q2QC0752 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a |
Chongqing University
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-delta (unknown origin) after 40 mins by Kinase-Glo assay |
Eur J Med Chem 157: 37-49 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.061
BindingDB Entry DOI: 10.7270/Q2ZC85KT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
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KEGG
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MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a |
Chongqing University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay |
Eur J Med Chem 158: 707-719 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.002
BindingDB Entry DOI: 10.7270/Q2PK0JVH |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50534995
(CHEMBL4095008)Show SMILES CC[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m1/s1 | PDB
MMDB
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PC cid
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UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human SU-DHL-5 cells assessed as reduction in AktS473 phosphorylation levels by Western blot analysis |
Bioorg Med Chem Lett 26: 4790-4794 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.028
BindingDB Entry DOI: 10.7270/Q21J9F98 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50534995
(CHEMBL4095008)Show SMILES CC[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m1/s1 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human CCRF-SB cells assessed as reduction in AktS473 phosphorylation levels by Western blot analysis |
Bioorg Med Chem Lett 26: 4790-4794 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.028
BindingDB Entry DOI: 10.7270/Q21J9F98 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50534995
(CHEMBL4095008)Show SMILES CC[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m1/s1 | PDB
MMDB
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KEGG
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human KARPAS422 cells assessed as reduction in AktS473 phosphorylation levels by Western blot analysis |
Bioorg Med Chem Lett 26: 4790-4794 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.028
BindingDB Entry DOI: 10.7270/Q21J9F98 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50534995
(CHEMBL4095008)Show SMILES CC[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m1/s1 | PDB
MMDB
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KEGG
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human KARPAS422 cells assessed as reduction in S6 phosphorylation levels by Western blot analysis |
Bioorg Med Chem Lett 26: 4790-4794 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.028
BindingDB Entry DOI: 10.7270/Q21J9F98 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50534995
(CHEMBL4095008)Show SMILES CC[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human SU-DHL-5 cells assessed as reduction in S6 phosphorylation levels by Western blot analysis |
Bioorg Med Chem Lett 26: 4790-4794 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.028
BindingDB Entry DOI: 10.7270/Q21J9F98 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50534995
(CHEMBL4095008)Show SMILES CC[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m1/s1 | PDB
MMDB
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Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human CCRF-SB cells assessed as reduction in S6 phosphorylation levels by Western blot analysis |
Bioorg Med Chem Lett 26: 4790-4794 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.028
BindingDB Entry DOI: 10.7270/Q21J9F98 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50468940
(CHEMBL4291904)Show SMILES Fc1ccccc1-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1 Show InChI InChI=1S/C22H12BrFN2O2/c23-15-12-18-17(11-14(15)13-5-1-2-6-16(13)24)25-21(19-7-3-9-27-19)22(26-18)20-8-4-10-28-20/h1-12H | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.57E+4 | n/a | n/a | n/a | n/a |
Chongqing University
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-delta (unknown origin) after 40 mins by Kinase-Glo assay |
Eur J Med Chem 157: 37-49 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.061
BindingDB Entry DOI: 10.7270/Q2ZC85KT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50467448
(CHEMBL4280001)Show SMILES Oc1ccc(-c2n[nH]cc2-c2ccc(Cl)c(Cl)c2)c(O)c1O Show InChI InChI=1S/C15H10Cl2N2O3/c16-10-3-1-7(5-11(10)17)9-6-18-19-13(9)8-2-4-12(20)15(22)14(8)21/h1-6,20-22H,(H,18,19) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.91E+4 | n/a | n/a | n/a | n/a |
Chongqing University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay |
Eur J Med Chem 158: 707-719 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.002
BindingDB Entry DOI: 10.7270/Q2PK0JVH |
More data for this
Ligand-Target Pair | |
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