Found 128 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/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)) | BDBM50403096
(CHEMBL2216895)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1 |r| Show InChI InChI=1S/C20H16FN7/c1-12(26-19-15(10-22)18(23)24-11-25-19)20-27-16-8-7-13(21)9-17(16)28(20)14-5-3-2-4-6-14/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403075
(CHEMBL2216902)Show SMILES CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1 Show InChI InChI=1S/C28H36N8O4S/c1-18(2)24-29-21-6-4-5-7-22(21)36(24)27-31-25-23(26(32-27)34-10-12-39-13-11-34)30-28(33(25)3)40-20-16-35(17-20)19-8-14-41(37,38)15-9-19/h4-7,18-20H,8-17H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403074
(CHEMBL2216903)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C(=O)C(C)C)n(C)c2n1 Show InChI InChI=1S/C26H32N8O3/c1-5-20-27-18-8-6-7-9-19(18)34(20)25-29-22-21(23(30-25)32-10-12-36-13-11-32)28-26(31(22)4)37-17-14-33(15-17)24(35)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.576 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403100
(CHEMBL2216891 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)Show SMILES Cc1ccc(c(c1)-c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C)S(C)(=O)=O Show InChI InChI=1S/C31H32F2N4O3S/c1-18-6-7-26(41(5,38)39)22(12-18)28-19(2)29(27-23(33)13-20(32)14-24(27)35-28)37-17-31(3,4)30-25(37)15-21(16-34-30)36-8-10-40-11-9-36/h6-7,12-16H,8-11,17H2,1-5H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403099
(CHEMBL2216892)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403101
(CHEMBL2216890)Show SMILES Cc1c(Nc2cc(cnc2-c2ccc(O)cc2)N2CCOCC2)c2c(F)cc(F)cc2nc1-c1ccccn1 Show InChI InChI=1S/C30H25F2N5O2/c1-18-28(24-4-2-3-9-33-24)35-25-15-20(31)14-23(32)27(25)29(18)36-26-16-21(37-10-12-39-13-11-37)17-34-30(26)19-5-7-22(38)8-6-19/h2-9,14-17,38H,10-13H2,1H3,(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403083
(CHEMBL2216850)Show SMILES CCN(CC)C(=O)c1cccc(Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)n1 Show InChI InChI=1S/C23H23N5O2S/c1-4-28(5-2)22(29)19-7-6-8-21(25-19)27-23-26-18-10-9-15(12-20(18)31-23)16-11-17(30-3)14-24-13-16/h6-14H,4-5H2,1-3H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403085
(CHEMBL2216848)Show SMILES CCOC(=O)CCNC(=O)Nc1nc2CCN(Cc2s1)c1cnc(Cl)c(OC)c1 Show InChI InChI=1S/C18H22ClN5O4S/c1-3-28-15(25)4-6-20-17(26)23-18-22-12-5-7-24(10-14(12)29-18)11-8-13(27-2)16(19)21-9-11/h8-9H,3-7,10H2,1-2H3,(H2,20,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403076
(CHEMBL2216901)Show SMILES CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C26H32N6OS/c1-30(2)18-7-10-31(11-8-18)17-19-16-23-24(34-19)26(32-12-14-33-15-13-32)29-25(28-23)21-4-3-5-22-20(21)6-9-27-22/h3-6,9,16,18,27H,7-8,10-15,17H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403098
(CHEMBL2216893 | US8754089, 4-amino-6-(((1S)-1-(6-m...)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-17-28-19(14(2)27-21-16(11-23)20(24)25-12-26-21)18(22(30)29(13)17)15-8-4-3-5-9-15/h3-10,12,14H,1-2H3,(H3,24,25,26,27)/t14-/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
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403092
(CHEMBL2216871 | US8691829, 4a)Show SMILES CC(c1nc2cccc(C)c2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)20(27-16)14(2)28-12-26-18-19(23)24-11-25-21(18)28/h3-12,14H,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403084
(CHEMBL2216849)Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1cncc(c1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4OS/c1-2-21-14(24)23-15-22-12-4-3-9(6-13(12)25-15)10-5-11(8-20-7-10)16(17,18)19/h3-8H,2H2,1H3,(H2,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403086
(CHEMBL2216847)Show SMILES CC(=O)NCCNS(=O)(=O)c1ccc(o1)-c1sc(NC(C)=O)nc1C Show InChI InChI=1S/C14H18N4O5S2/c1-8-13(24-14(17-8)18-10(3)20)11-4-5-12(23-11)25(21,22)16-7-6-15-9(2)19/h4-5,16H,6-7H2,1-3H3,(H,15,19)(H,17,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403067
(CHEMBL2216876)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)cc2cccc(C)c2c1=O |(7.35,-15.23,;6.01,-14.47,;4.69,-15.24,;3.34,-14.47,;3.34,-12.93,;4.67,-12.16,;6.01,-12.93,;7.34,-12.16,;7.34,-10.62,;6,-9.85,;6,-8.31,;7.41,-7.69,;7.26,-6.16,;8.4,-5.13,;9.87,-5.61,;11.02,-4.59,;12.48,-5.07,;10.7,-3.08,;9.23,-2.6,;8.91,-1.09,;8.09,-3.63,;5.76,-5.83,;5,-4.5,;5.78,-3.17,;3.45,-4.48,;2.68,-5.82,;3.43,-7.17,;4.97,-7.16,;8.67,-9.84,;10,-10.62,;11.32,-9.85,;12.65,-10.61,;12.66,-12.15,;11.32,-12.92,;11.32,-14.46,;10,-12.15,;8.67,-12.92,;8.67,-14.46,)| Show InChI InChI=1S/C29H23FN6O2/c1-16-6-3-4-9-23(16)36-21(11-18-8-5-7-17(2)24(18)29(36)38)14-35-28-25(27(31)32-15-33-28)26(34-35)19-10-20(30)13-22(37)12-19/h3-13,15,37H,14H2,1-2H3,(H2,31,32,33) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403069
(CHEMBL2216889)Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2nc1-c1cscn1 |r| Show InChI InChI=1S/C19H14ClN7S/c1-10(26-19-17-18(22-7-21-17)23-8-24-19)12-5-11-3-2-4-13(20)15(11)27-16(12)14-6-28-9-25-14/h2-10H,1H3,(H2,21,22,23,24,26)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in B-cells by proliferation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323732
(3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylp...)Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403064
(CHEMBL2216881)Show SMILES CN(C)CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r,wU:7.6,wD:10.13,(15.91,-32.01,;14.57,-32.78,;14.57,-34.32,;13.24,-32.01,;11.91,-32.77,;11.91,-34.31,;10.57,-32,;9.24,-32.77,;9.24,-34.31,;7.91,-35.08,;6.57,-34.32,;6.57,-32.77,;7.9,-32,;5.24,-35.09,;5.25,-36.63,;3.92,-37.4,;3.92,-38.95,;5.25,-39.72,;6.59,-38.95,;6.58,-37.4,;7.92,-39.72,;8.09,-41.25,;9.59,-41.57,;10.36,-40.24,;11.86,-39.92,;12.33,-38.46,;11.3,-37.31,;9.8,-37.63,;9.33,-39.09,;6.94,-42.28,;5.48,-41.81,;7.27,-43.79,;2.58,-39.72,;1.25,-38.94,;-.09,-39.71,;-.1,-41.25,;1.24,-42.02,;2.59,-41.26,)| Show InChI InChI=1S/C25H33F2N9O2/c1-34(2)15-20(37)28-16-7-9-17(10-8-16)29-23-31-24(35-11-13-38-14-12-35)33-25(32-23)36-19-6-4-3-5-18(19)30-22(36)21(26)27/h3-6,16-17,21H,7-15H2,1-2H3,(H,28,37)(H,29,31,32,33)/t16-,17- | PDB
MMDB
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UniChem
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| Article
PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human B-cells assessed as inhibition of anti-IgM-induced thymidine incorporation by radiometry |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323728
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)| Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
MMDB
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323731
(CHEMBL1213117 | N-(6-(4-amino-1-((2-(4-methylpiper...)Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C29H28N10OS/c1-17(40)33-29-35-22-8-7-19(14-23(22)41-29)25-24-26(30)31-16-32-28(24)39(36-25)15-20-13-18-5-3-4-6-21(18)34-27(20)38-11-9-37(2)10-12-38/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,30,31,32)(H,33,35,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
MMDB
PC cid
PC sid
PDB
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Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403070
(CHEMBL2216888)Show SMILES Cc1cccc2nc(c(Cn3nc(C#N)c4c(N)ncnc34)nc12)-c1ccccc1Cl Show InChI InChI=1S/C22H15ClN8/c1-12-5-4-8-15-19(12)29-17(20(28-15)13-6-2-3-7-14(13)23)10-31-22-18(16(9-24)30-31)21(25)26-11-27-22/h2-8,11H,10H2,1H3,(H2,25,26,27) | PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in B-cells by proliferation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403073
(CHEMBL2216882)Show SMILES Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2oc(CN3CCN(CC3)C(C)(C)C(N)=O)cc2n1 Show InChI InChI=1S/C27H34N8O3/c1-18-29-20-6-4-5-7-22(20)35(18)26-30-21-16-19(38-23(21)24(31-26)33-12-14-37-15-13-33)17-32-8-10-34(11-9-32)27(2,3)25(28)36/h4-7,16H,8-15,17H2,1-3H3,(H2,28,36) | PDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403073
(CHEMBL2216882)Show SMILES Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2oc(CN3CCN(CC3)C(C)(C)C(N)=O)cc2n1 Show InChI InChI=1S/C27H34N8O3/c1-18-29-20-6-4-5-7-22(20)35(18)26-30-21-16-19(38-23(21)24(31-26)33-12-14-37-15-13-33)17-32-8-10-34(11-9-32)27(2,3)25(28)36/h4-7,16H,8-15,17H2,1-3H3,(H2,28,36) | PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.74 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403088
(CHEMBL2216844)Show SMILES COc1cc2c(CC3CCCC(C)C3)c(sc2cc1C)C(=O)Nc1nnn[nH]1 Show InChI InChI=1S/C20H25N5O2S/c1-11-5-4-6-13(7-11)9-15-14-10-16(27-3)12(2)8-17(14)28-18(15)19(26)21-20-22-24-25-23-20/h8,10-11,13H,4-7,9H2,1-3H3,(H2,21,22,23,24,25,26) | PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
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MCE
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| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403075
(CHEMBL2216902)Show SMILES CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1 Show InChI InChI=1S/C28H36N8O4S/c1-18(2)24-29-21-6-4-5-7-22(21)36(24)27-31-25-23(26(32-27)34-10-12-39-13-11-34)30-28(33(25)3)40-20-16-35(17-20)19-8-14-41(37,38)15-9-19/h4-7,18-20H,8-17H2,1-3H3 | PDB
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CHEMBL
MCE
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as inhibition of CD69 production in B lymphocyte by immunoassay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50392138
(CHEMBL2152768)Show SMILES CC(C)(O)C1CCN(Cc2ccc3nc(nc(N4CCOCC4)c3n2)-c2c(F)ccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H33FN6O2/c1-28(2,36)18-8-11-34(12-9-18)17-19-3-5-23-25(31-19)27(35-13-15-37-16-14-35)33-26(32-23)24-20-7-10-30-22(20)6-4-21(24)29/h3-7,10,18,30,36H,8-9,11-17H2,1-2H3 | PDB
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CHEMBL
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MMDB
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| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403064
(CHEMBL2216881)Show SMILES CN(C)CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r,wU:7.6,wD:10.13,(15.91,-32.01,;14.57,-32.78,;14.57,-34.32,;13.24,-32.01,;11.91,-32.77,;11.91,-34.31,;10.57,-32,;9.24,-32.77,;9.24,-34.31,;7.91,-35.08,;6.57,-34.32,;6.57,-32.77,;7.9,-32,;5.24,-35.09,;5.25,-36.63,;3.92,-37.4,;3.92,-38.95,;5.25,-39.72,;6.59,-38.95,;6.58,-37.4,;7.92,-39.72,;8.09,-41.25,;9.59,-41.57,;10.36,-40.24,;11.86,-39.92,;12.33,-38.46,;11.3,-37.31,;9.8,-37.63,;9.33,-39.09,;6.94,-42.28,;5.48,-41.81,;7.27,-43.79,;2.58,-39.72,;1.25,-38.94,;-.09,-39.71,;-.1,-41.25,;1.24,-42.02,;2.59,-41.26,)| Show InChI InChI=1S/C25H33F2N9O2/c1-34(2)15-20(37)28-16-7-9-17(10-8-16)29-23-31-24(35-11-13-38-14-12-35)33-25(32-23)36-19-6-4-3-5-18(19)30-22(36)21(26)27/h3-6,16-17,21H,7-15H2,1-2H3,(H,28,37)(H,29,31,32,33)/t16-,17- | PDB
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UniChem
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PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403063
(CHEMBL2216862 | US9321773, 15)Show SMILES COc1cccc(Cn2c(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)nc3cccc(C#C)c3c2=O)c1 Show InChI InChI=1S/C30H23N7O3/c1-3-19-8-6-12-23-25(19)30(39)36(15-18-7-4-11-22(13-18)40-2)24(34-23)16-37-29-26(28(31)32-17-33-29)27(35-37)20-9-5-10-21(38)14-20/h1,4-14,17,38H,15-16H2,2H3,(H2,31,32,33) | PDB
MMDB
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Reactome pathway
KEGG
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B.MOAD
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UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
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 | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403066
(CHEMBL2216883)Show SMILES CC1=CC(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)=NC1 |c:32,t:1| Show InChI InChI=1S/C22H23N7O2S/c1-14-12-18(24-13-14)27-19(30)8-10-23-21(31)28-22-26-15(2)20(32-22)16-4-6-17(7-5-16)29-11-3-9-25-29/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,24,27,30)(H2,23,26,28,31) | PDB
MMDB
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UniChem
| Article
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta by scintillation counting method |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403074
(CHEMBL2216903)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C(=O)C(C)C)n(C)c2n1 Show InChI InChI=1S/C26H32N8O3/c1-5-20-27-18-8-6-7-9-19(18)34(20)25-29-22-21(23(30-25)32-10-12-36-13-11-32)28-26(31(22)4)37-17-14-33(15-17)24(35)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3 | PDB
MMDB
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UniChem
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| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as inhibition of CD69 production in B lymphocyte by immunoassay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403091
(CHEMBL2216872)Show SMILES COc1ccc(NC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c23)cc1 Show InChI InChI=1S/C19H21N3O4/c1-11(2)9-22-10-20-18-16(19(22)24)15(12(3)26-18)17(23)21-13-5-7-14(25-4)8-6-13/h5-8,10-11H,9H2,1-4H3,(H,21,23) | PDB
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| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403102
(CHEMBL2216885)Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1nc2ccsc2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C19H15N7OS/c1-11(24-17-14-16(21-9-20-14)22-10-23-17)18-25-13-7-8-28-15(13)19(27)26(18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22,23,24)/t11-/m0/s1 | PDB
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KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403081
(CHEMBL2216855)Show SMILES FC(F)(F)C1CCN(CC1)c1ncnc2ccc(\C=C3/SC(=O)NC3=O)nc12 Show InChI InChI=1S/C17H14F3N5O2S/c18-17(19,20)9-3-5-25(6-4-9)14-13-11(21-8-22-14)2-1-10(23-13)7-12-15(26)24-16(27)28-12/h1-2,7-9H,3-6H2,(H,24,26,27)/b12-7- | PDB
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
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
Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in B-cells by proliferation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323730
(2-((4-amino-3-(3-hydroxyprop-1-ynyl)-1H-pyrazolo[3...)Show SMILES Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(31.57,-15.15,;31.56,-13.61,;32.89,-12.84,;32.88,-11.3,;31.54,-10.53,;30.21,-11.32,;30.22,-12.85,;28.9,-13.62,;28.91,-15.18,;30.25,-15.94,;30.25,-17.49,;29.01,-18.4,;29.49,-19.86,;28.6,-21.11,;27.7,-22.36,;26.81,-23.6,;25.48,-23.68,;31.03,-19.85,;32.06,-20.99,;31.59,-22.46,;33.56,-20.67,;34.03,-19.2,;33,-18.06,;31.51,-18.39,;27.57,-15.96,;26.23,-15.18,;24.89,-15.96,;23.57,-15.19,;23.57,-13.64,;24.89,-12.87,;24.89,-11.33,;26.23,-13.64,;27.56,-12.87,;27.55,-11.33,)| Show InChI InChI=1S/C25H21N7O2/c1-15-7-3-4-11-19(15)32-20(29-17-9-5-8-16(2)21(17)25(32)34)13-31-24-22(23(26)27-14-28-24)18(30-31)10-6-12-33/h3-5,7-9,11,14,33H,12-13H2,1-2H3,(H2,26,27,28) | PDB
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| MMDB
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Article
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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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Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323729
(2-((4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazo...)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(16.77,-15.65,;16.76,-14.1,;18.09,-13.33,;18.08,-11.78,;16.73,-11.01,;15.41,-11.8,;15.41,-13.33,;14.09,-14.11,;14.1,-15.66,;15.44,-16.43,;15.44,-17.98,;14.2,-18.89,;14.68,-20.37,;13.89,-21.68,;14.64,-23.01,;13.86,-24.33,;12.31,-24.31,;11.52,-25.62,;11.57,-22.96,;10.03,-22.93,;12.36,-21.64,;16.22,-20.35,;17.26,-21.49,;16.78,-22.96,;18.76,-21.17,;19.22,-19.7,;18.19,-18.56,;16.7,-18.89,;12.76,-16.44,;11.42,-15.67,;10.08,-16.46,;8.75,-15.68,;8.75,-14.13,;10.08,-13.36,;10.07,-11.82,;11.42,-14.12,;12.75,-13.35,;12.74,-11.81,)| Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) | PDB
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Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM36411
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(-2.34,-2.43,;-2.02,-3.93,;-3.16,-4.96,;-2.84,-6.46,;-1.38,-6.94,;-.23,-5.91,;-.55,-4.4,;.59,-3.38,;.27,-1.87,;-1.2,-1.4,;-1.67,.06,;-.77,1.31,;-1.67,2.55,;-1.2,4.01,;-2.23,5.16,;-1.75,6.62,;-.25,6.94,;.78,5.8,;2.28,6.12,;.31,4.33,;-3.14,2.08,;-4.47,2.85,;-4.47,4.38,;-5.8,2.08,;-5.8,.54,;-4.47,-.23,;-3.14,.54,;1.41,-.84,;2.88,-1.32,;4.02,-.29,;5.48,-.76,;5.8,-2.27,;4.66,-3.3,;4.98,-4.8,;3.2,-2.82,;2.05,-3.85,;2.37,-5.35,)| Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31) | PDB
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MCE
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Mus musculus (Mouse)) | BDBM50403081
(CHEMBL2216855)Show SMILES FC(F)(F)C1CCN(CC1)c1ncnc2ccc(\C=C3/SC(=O)NC3=O)nc12 Show InChI InChI=1S/C17H14F3N5O2S/c18-17(19,20)9-3-5-25(6-4-9)14-13-11(21-8-22-14)2-1-10(23-13)7-12-15(26)24-16(27)28-12/h1-2,7-9H,3-6H2,(H,24,26,27)/b12-7- | PDB
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UniChem
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta-mediated AKT phosphorylation in mouse Raw 264.7 cells by immunoassay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM81368
(PIK90)Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403082
(CHEMBL2216756)Show SMILES Nc1ncc(nc1C(=O)c1cccnc1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C22H16ClN5O3S/c23-17-9-8-14(11-19(17)32(30,31)28-16-6-2-1-3-7-16)18-13-26-22(24)20(27-18)21(29)15-5-4-10-25-12-15/h1-13,28H,(H2,24,26) | PDB
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PC sid
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| Article
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403090
(CHEMBL2216873)Show SMILES CC(=O)[N-]c1nc(C)c(s1)-c1csc(n1)C(=O)Nc1nnn[nH]1 Show InChI InChI=1S/C11H10N8O2S2/c1-4-7(23-11(12-4)13-5(2)20)6-3-22-9(14-6)8(21)15-10-16-18-19-17-10/h3H,1-2H3,(H3,12,13,14,15,16,17,18,19,20,21)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
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PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403078
(CHEMBL2216833)Show SMILES COCC(O)Cn1cc(cn1)-c1ccc2OCCN(C3=NC4CC(C)(C)NC(=O)C4S3)c2c1 |t:20| Show InChI InChI=1S/C23H29N5O4S/c1-23(2)9-17-20(21(30)26-23)33-22(25-17)28-6-7-32-19-5-4-14(8-18(19)28)15-10-24-27(11-15)12-16(29)13-31-3/h4-5,8,10-11,16-17,20,29H,6-7,9,12-13H2,1-3H3,(H,26,30) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403066
(CHEMBL2216883)Show SMILES CC1=CC(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)=NC1 |c:32,t:1| Show InChI InChI=1S/C22H23N7O2S/c1-14-12-18(24-13-14)27-19(30)8-10-23-21(31)28-22-26-15(2)20(32-22)16-4-6-17(7-5-16)29-11-3-9-25-29/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,24,27,30)(H2,23,26,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kdelta expressed in Rat-1 cells assessed as inhibition of AKT phosphorylation by ELISA |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50390425
(CHEMBL2071341)Show SMILES Cc1nc(NC(=O)NCCC(=O)OC(C)(C)C)sc1-c1ccc(c(F)c1)S(C)(=O)=O Show InChI InChI=1S/C19H24FN3O5S2/c1-11-16(12-6-7-14(13(20)10-12)30(5,26)27)29-18(22-11)23-17(25)21-9-8-15(24)28-19(2,3)4/h6-7,10H,8-9H2,1-5H3,(H2,21,22,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403065
(CHEMBL2216880)Show SMILES COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)cc(OC)c1 Show InChI InChI=1S/C25H27N5O4S/c1-30(2)16-17-9-11-21(12-10-17)35(31,32)29-25-24(27-22-7-5-6-8-23(22)28-25)26-18-13-19(33-3)15-20(14-18)34-4/h5-15H,16H2,1-4H3,(H,26,27)(H,28,29) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human PBMC assessed as inhibition of anti-IgM-induced AKT phosphorylation by FACS analysis |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403076
(CHEMBL2216901)Show SMILES CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C26H32N6OS/c1-30(2)18-7-10-31(11-8-18)17-19-16-23-24(34-19)26(32-12-14-33-15-13-32)29-25(28-23)21-4-3-5-22-20(21)6-9-27-22/h3-6,9,16,18,27H,7-8,10-15,17H2,1-2H3 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as inhibition of CD69 production in B lymphocyte by immunoassay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM81368
(PIK90)Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50393342
(CHEMBL2152252)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F Show InChI InChI=1S/C18H14ClF2N5O3S/c1-23-18(27)16-17(22)24-8-13(25-16)9-5-6-10(19)14(7-9)30(28,29)26-12-4-2-3-11(20)15(12)21/h2-8,26H,1H3,(H2,22,24)(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403080
(CHEMBL2216856)Show SMILES COc1ccc(cc1OC)-c1ccc2OCCN(C3=NC(=O)C(C)(C)S3)c2n1 |t:19| Show InChI InChI=1S/C20H21N3O4S/c1-20(2)18(24)22-19(28-20)23-9-10-27-15-8-6-13(21-17(15)23)12-5-7-14(25-3)16(11-12)26-4/h5-8,11H,9-10H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403065
(CHEMBL2216880)Show SMILES COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)cc(OC)c1 Show InChI InChI=1S/C25H27N5O4S/c1-30(2)16-17-9-11-21(12-10-17)35(31,32)29-25-24(27-22-7-5-6-8-23(22)28-25)26-18-13-19(33-3)15-20(14-18)34-4/h5-15H,16H2,1-4H3,(H,26,27)(H,28,29) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004560
(CHEMBL2216878)Show SMILES OCCn1cnc2c(nc(nc12)N1CCOCC1)-n1c(nc2ccccc12)C(F)F |(28.44,-4.85,;26.94,-4.53,;25.91,-5.67,;24.4,-5.35,;23.78,-3.94,;22.25,-4.1,;21.93,-5.61,;20.6,-6.38,;20.6,-7.92,;21.93,-8.69,;23.27,-7.92,;23.26,-6.38,;21.92,-10.23,;20.59,-10.99,;20.58,-12.53,;21.91,-13.31,;23.25,-12.54,;23.26,-10.99,;19.27,-5.61,;18.66,-4.2,;17.13,-4.34,;16.79,-5.84,;15.44,-6.6,;15.43,-8.14,;16.77,-8.93,;18.11,-8.17,;18.12,-6.63,;19.44,-2.87,;20.98,-2.88,;18.69,-1.53,)| Show InChI InChI=1S/C19H19F2N7O2/c20-15(21)18-23-12-3-1-2-4-13(12)28(18)17-14-16(27(5-8-29)11-22-14)24-19(25-17)26-6-9-30-10-7-26/h1-4,11,15,29H,5-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403062
(CHEMBL2216857)Show SMILES Cn1cc(cn1)-c1ccc2OCCN(C3=NC4CC(C)(C)NC(=O)C4S3)c2c1 |t:15| Show InChI InChI=1S/C20H23N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11,14,17H,6-7,9H2,1-3H3,(H,23,26) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50393329
(CHEMBL2152253)Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1C Show InChI InChI=1S/C19H17ClFN5O3S/c1-10-13(21)4-3-5-14(10)26-30(28,29)16-8-11(6-7-12(16)20)15-9-24-18(22)17(25-15)19(27)23-2/h3-9,26H,1-2H3,(H2,22,24)(H,23,27) | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323736
(2-(3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro...)Show SMILES COc1ccccc1-n1c(SCC(=O)Nc2ccc3nccnc3c2)nc2CCCCc2c1=O |(21.65,-14.78,;20.32,-15.55,;20.33,-17.09,;21.66,-17.85,;21.67,-19.4,;20.33,-20.18,;19,-19.41,;19,-17.86,;17.67,-17.1,;17.66,-15.56,;18.99,-14.78,;18.99,-13.24,;20.32,-12.47,;21.66,-13.23,;20.32,-10.93,;21.65,-10.15,;22.98,-10.92,;24.31,-10.14,;24.31,-8.6,;25.64,-7.82,;25.63,-6.28,;24.27,-5.51,;22.94,-6.3,;22.96,-7.84,;21.64,-8.62,;16.33,-14.79,;15.01,-15.56,;13.68,-14.78,;12.35,-15.56,;12.35,-17.1,;13.68,-17.86,;15.01,-17.1,;16.34,-17.87,;16.33,-19.41,)| Show InChI InChI=1S/C25H23N5O3S/c1-33-22-9-5-4-8-21(22)30-24(32)17-6-2-3-7-18(17)29-25(30)34-15-23(31)28-16-10-11-19-20(14-16)27-13-12-26-19/h4-5,8-14H,2-3,6-7,15H2,1H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| MMDB
PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323733
(1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZ...)Show InChI InChI=1S/C15H14N6/c1-10(2)21-15-13(14(16)18-9-19-15)12(20-21)6-5-11-4-3-7-17-8-11/h3-4,7-10H,1-2H3,(H2,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403103
(CHEMBL2216884)Show SMILES C[C@@H](c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H15N7OS/c1-11(25-10-23-14-16(20)21-9-22-18(14)25)17-24-13-7-8-28-15(13)19(27)26(17)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22)/t11-/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50392138
(CHEMBL2152768)Show SMILES CC(C)(O)C1CCN(Cc2ccc3nc(nc(N4CCOCC4)c3n2)-c2c(F)ccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H33FN6O2/c1-28(2,36)18-8-11-34(12-9-18)17-19-3-5-23-25(31-19)27(35-13-15-37-16-14-35)33-26(32-23)24-20-7-10-30-22(20)6-4-21(24)29/h3-7,10,18,30,36H,8-9,11-17H2,1-2H3 | PDB
MMDB
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MMDB
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PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as inhibition of CD69 production in B lymphocyte by immunoassay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB
MMDB
NCI pathway
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KEGG
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MMDB
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| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004538
(CHEMBL2216868)Show SMILES Cn1c(nc2c(ncnc12)N1CCC(CC1)n1c2cccnc2[nH]c1=O)C(=O)NCC(F)(F)F Show InChI InChI=1S/C20H20F3N9O2/c1-30-15-13(28-17(30)18(33)25-9-20(21,22)23)16(27-10-26-15)31-7-4-11(5-8-31)32-12-3-2-6-24-14(12)29-19(32)34/h2-3,6,10-11H,4-5,7-9H2,1H3,(H,25,33)(H,24,29,34) | PDB
MMDB
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Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004539
(CHEMBL2216867 | US10065963, Compound 33 | US105191...)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29) | PDB
MMDB
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KEGG
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B.MOAD
DrugBank
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| CHEMBL
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004559
(CHEMBL2216866)Show SMILES CC(Nc1ncnc2[nH]cnc12)C1=C(C#N)C2C=CC(Cl)=CC2N1c1cccc(F)c1 |c:14,19,22| Show InChI InChI=1S/C22H17ClFN7/c1-12(30-22-19-21(27-10-26-19)28-11-29-22)20-17(9-25)16-6-5-13(23)7-18(16)31(20)15-4-2-3-14(24)8-15/h2-8,10-12,16,18H,1H3,(H2,26,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004561
(CHEMBL2216875)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1nn(C2CCCC2)c2ncnc(N)c12 Show InChI InChI=1S/C19H19N7OS/c1-10(27)23-19-24-13-7-6-11(8-14(13)28-19)16-15-17(20)21-9-22-18(15)26(25-16)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H2,20,21,22)(H,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004547
(CHEMBL2216863 | US10065963, Compound 28 | US104280...)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1 |r| Show InChI InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1 | PDB
MMDB
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KEGG
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CHEMBL
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| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004540
(CHEMBL2216869 | US9670212, 2 3-[(6-amino-9H-purin-...)Show SMILES CN(CC1CCCN1C)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12 Show InChI InChI=1S/C23H28N8/c1-15-6-4-7-16-10-17(11-31-14-27-20-21(24)25-13-26-23(20)31)22(28-19(15)16)30(3)12-18-8-5-9-29(18)2/h4,6-7,10,13-14,18H,5,8-9,11-12H2,1-3H3,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004539
(CHEMBL2216867 | US10065963, Compound 33 | US105191...)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in B-cells by proliferation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004547
(CHEMBL2216863 | US10065963, Compound 28 | US104280...)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1 |r| Show InChI InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1 | PDB
MMDB
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| Article
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| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in B-cells by proliferation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403089
(CHEMBL2216874)Show SMILES Oc1nc(S)sc1Cc1ccc2OCC(=O)N(Cc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C19H14ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-6,25H,7-9H2,(H,22,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM81368
(PIK90)Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24) | PDB
MMDB
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MCE
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PC sid
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| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB
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| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323735
(CHEMBL1213168 | N-(3-(3,5-dimethoxyphenylamino)qui...)Show SMILES COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc(OC)c1 Show InChI InChI=1S/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-13H,1-2H3,(H,24,25)(H,26,27) | PDB
MMDB
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KEGG
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CHEMBL
MMDB
PC cid
PC sid
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Similars
| MMDB
Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004532
(CHEMBL2216853)Show SMILES C[C@H](NS(=O)(=O)c1cc(ccc1Cl)-c1sc(NC(C)=O)nc1C)C(=O)OC1CCCC1 |r| Show InChI InChI=1S/C20H24ClN3O5S2/c1-11-18(30-20(22-11)23-13(3)25)14-8-9-16(21)17(10-14)31(27,28)24-12(2)19(26)29-15-6-4-5-7-15/h8-10,12,15,24H,4-7H2,1-3H3,(H,22,23,25)/t12-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004549
(CHEMBL2216865)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1 Show InChI InChI=1S/C20H15ClFN7/c1-11(28-20-17-19(25-8-24-17)26-9-27-20)14-6-15(21)16-7-23-10-29(16)18(14)12-3-2-4-13(22)5-12/h2-11H,1H3,(H2,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004537
(CHEMBL2216897)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12 |(25.34,-18.26,;24.58,-16.92,;25.35,-15.59,;23.04,-16.92,;22.26,-18.25,;22.88,-19.66,;21.73,-20.69,;21.71,-22.23,;20.37,-22.99,;19.04,-22.2,;19.06,-20.67,;20.4,-19.91,;20.73,-18.4,;17.91,-23.24,;18.08,-24.77,;16.69,-25.41,;16.7,-26.95,;18.03,-27.71,;19.37,-26.94,;20.71,-27.71,;22.03,-26.94,;23.36,-27.71,;23.36,-29.26,;22.03,-30.02,;22.02,-31.56,;20.7,-29.25,;19.38,-30.02,;19.38,-31.56,;18.05,-29.25,;16.72,-30.02,;16.72,-31.57,;15.38,-32.34,;14.05,-31.57,;14.05,-30.03,;15.38,-29.26,;15.38,-27.72,;15.64,-24.27,;14.12,-24.28,;13.33,-22.97,;14.09,-21.63,;15.62,-21.61,;16.38,-20.27,;16.4,-22.93,)| Show InChI InChI=1S/C32H26N8O2S/c1-17-7-4-5-10-24(17)40-22(13-20-9-6-8-18(2)26(20)31(40)42)15-39-30-27(29(33)34-16-35-30)28(38-39)21-11-12-23-25(14-21)43-32(37-23)36-19(3)41/h4-14,16H,15H2,1-3H3,(H2,33,34,35)(H,36,37,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| Purchase
CHEMBL
MCE
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004542
(CHEMBL2216846)Show SMILES FC(F)(F)c1cncc(c1)-c1ccc2nc(NC(=O)NCC(=O)N3CCCC3)nn2c1 Show InChI InChI=1S/C19H18F3N7O2/c20-19(21,22)14-7-13(8-23-9-14)12-3-4-15-25-17(27-29(15)11-12)26-18(31)24-10-16(30)28-5-1-2-6-28/h3-4,7-9,11H,1-2,5-6,10H2,(H2,24,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004526
(CHEMBL2216900)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(F)ccc3[nH]ccc23)CC1 Show InChI InChI=1S/C24H27FN6O3S2/c1-36(32,33)31-8-6-29(7-9-31)15-16-14-20-22(35-16)24(30-10-12-34-13-11-30)28-23(27-20)21-17-4-5-26-19(17)3-2-18(21)25/h2-5,14,26H,6-13,15H2,1H3 | 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 | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004534
(CHEMBL2216898)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(OC2CCN(C)CC2)n1 Show InChI InChI=1S/C23H27N7O/c1-14-5-4-6-16-11-18(15(2)28-22-20-21(25-12-24-20)26-13-27-22)29-23(19(14)16)31-17-7-9-30(3)10-8-17/h4-6,11-13,15,17H,7-10H2,1-3H3,(H2,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in B-cells by proliferation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403095
(CHEMBL2216877)Show SMILES CN(C)CCCOc1cccc2n(c(nc12)C(F)F)-c1nc(OC2CCN(CC2)C(=O)CCl)nc(n1)N1CCOCC1 Show InChI InChI=1S/C27H35ClF2N8O4/c1-35(2)9-4-14-41-20-6-3-5-19-22(20)31-24(23(29)30)38(19)26-32-25(37-12-15-40-16-13-37)33-27(34-26)42-18-7-10-36(11-8-18)21(39)17-28/h3,5-6,18,23H,4,7-17H2,1-2H3 | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004543
(CHEMBL2216843)Show SMILES Cc1csc2nc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)n(-c3ccccc3C)c(=O)c12 |(42.28,-26.88,;41.82,-25.41,;42.74,-24.17,;41.84,-22.92,;40.37,-23.38,;39.03,-22.61,;37.7,-23.39,;36.36,-22.62,;36.36,-21.08,;37.76,-20.45,;37.59,-18.92,;38.73,-17.88,;40.19,-18.36,;41.33,-17.32,;42.8,-17.79,;41,-15.81,;39.53,-15.35,;39.19,-13.84,;38.4,-16.39,;36.08,-18.61,;35.31,-17.29,;36.08,-15.95,;33.78,-17.29,;33.01,-18.63,;33.79,-19.95,;35.32,-19.94,;37.7,-24.93,;36.37,-25.7,;35.03,-24.93,;33.7,-25.7,;33.7,-27.24,;35.05,-28.01,;36.37,-27.24,;37.71,-28,;39.03,-25.69,;39.03,-27.23,;40.36,-24.93,)| Show InChI InChI=1S/C26H20FN7O2S/c1-13-5-3-4-6-18(13)34-19(31-25-20(26(34)36)14(2)11-37-25)10-33-24-21(23(28)29-12-30-24)22(32-33)15-7-16(27)9-17(35)8-15/h3-9,11-12,35H,10H2,1-2H3,(H2,28,29,30) | 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 | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta by cell-based assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004528
(CHEMBL2216834)Show SMILES Clc1ccc(-c2nc(sc2-c2nnc[nH]2)N2CCOCC2)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2N5OS/c16-9-1-2-10(11(17)7-9)12-13(14-18-8-19-21-14)24-15(20-12)22-3-5-23-6-4-22/h1-2,7-8H,3-6H2,(H,18,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004534
(CHEMBL2216898)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(OC2CCN(C)CC2)n1 Show InChI InChI=1S/C23H27N7O/c1-14-5-4-6-16-11-18(15(2)28-22-20-21(25-12-24-20)26-13-27-22)29-23(19(14)16)31-17-7-9-30(3)10-8-17/h4-6,11-13,15,17H,7-10H2,1-3H3,(H2,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004543
(CHEMBL2216843)Show SMILES Cc1csc2nc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)n(-c3ccccc3C)c(=O)c12 |(42.28,-26.88,;41.82,-25.41,;42.74,-24.17,;41.84,-22.92,;40.37,-23.38,;39.03,-22.61,;37.7,-23.39,;36.36,-22.62,;36.36,-21.08,;37.76,-20.45,;37.59,-18.92,;38.73,-17.88,;40.19,-18.36,;41.33,-17.32,;42.8,-17.79,;41,-15.81,;39.53,-15.35,;39.19,-13.84,;38.4,-16.39,;36.08,-18.61,;35.31,-17.29,;36.08,-15.95,;33.78,-17.29,;33.01,-18.63,;33.79,-19.95,;35.32,-19.94,;37.7,-24.93,;36.37,-25.7,;35.03,-24.93,;33.7,-25.7,;33.7,-27.24,;35.05,-28.01,;36.37,-27.24,;37.71,-28,;39.03,-25.69,;39.03,-27.23,;40.36,-24.93,)| Show InChI InChI=1S/C26H20FN7O2S/c1-13-5-3-4-6-18(13)34-19(31-25-20(26(34)36)14(2)11-37-25)10-33-24-21(23(28)29-12-30-24)22(32-33)15-7-16(27)9-17(35)8-15/h3-9,11-12,35H,10H2,1-2H3,(H2,28,29,30) | 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 | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004535
(CHEMBL2216896)Show InChI InChI=1S/C16H14FN3O/c1-9-14-7-10(11-5-12(17)8-13(21)6-11)3-4-15(14)20-16(18-2)19-9/h3-8,21H,1-2H3,(H,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004527
(CHEMBL2216860)Show SMILES COc1ccc(cc1NS(C)(=O)=O)-c1cc(-c2ncc(CN3C[C@H](C)O[C@H](C)C3)o2)c2cn[nH]c2c1 |r| Show InChI InChI=1S/C25H29N5O5S/c1-15-12-30(13-16(2)34-15)14-19-10-26-25(35-19)20-7-18(9-22-21(20)11-27-28-22)17-5-6-24(33-3)23(8-17)29-36(4,31)32/h5-11,15-16,29H,12-14H2,1-4H3,(H,27,28)/t15-,16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004549
(CHEMBL2216865)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1 Show InChI InChI=1S/C20H15ClFN7/c1-11(28-20-17-19(25-8-24-17)26-9-27-20)14-6-15(21)16-7-23-10-29(16)18(14)12-3-2-4-13(22)5-12/h2-11H,1H3,(H2,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta-mediated AKT phosphorylation in human Ramos cells by ELISA |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004533
(CHEMBL2216852)Show SMILES CC(=O)Nc1ccc(cn1)C(=O)NC1=Nc2cc(ccc2C2=NCCN12)N1CCOCC1 |t:14,23| Show InChI InChI=1S/C22H23N7O3/c1-14(30)25-19-5-2-15(13-24-19)21(31)27-22-26-18-12-16(28-8-10-32-11-9-28)3-4-17(18)20-23-6-7-29(20)22/h2-5,12-13H,6-11H2,1H3,(H,24,25,30)(H,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004530
(CHEMBL2216835)Show SMILES CC[C@H]1CN(CCO1)c1sc(-c2nnc[nH]2)c(c1C#N)-c1ccc(Cl)cc1Cl |r,wD:2.1,(18.27,-30.7,;16.73,-30.72,;15.95,-29.4,;16.7,-28.05,;15.9,-26.74,;14.36,-26.76,;13.62,-28.1,;14.4,-29.42,;16.81,-25.49,;18.35,-25.49,;18.82,-24.02,;20.29,-23.54,;20.76,-22.08,;22.3,-22.08,;22.78,-23.54,;21.53,-24.45,;17.58,-23.12,;16.33,-24.02,;14.87,-23.55,;13.41,-23.08,;17.58,-21.57,;18.91,-20.8,;18.91,-19.25,;17.57,-18.49,;17.57,-16.95,;16.25,-19.26,;16.24,-20.8,;14.91,-21.57,)| Show InChI InChI=1S/C19H17Cl2N5OS/c1-2-12-9-26(5-6-27-12)19-14(8-22)16(13-4-3-11(20)7-15(13)21)17(28-19)18-23-10-24-25-18/h3-4,7,10,12H,2,5-6,9H2,1H3,(H,23,24,25)/t12-/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 | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004529
(CHEMBL2216859)Show SMILES CC(C)N1CCN(Cc2cnc(o2)-c2cc(cc3[nH]ncc23)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403097
(CHEMBL2216894)Show SMILES C[C@H](Nc1nc(N)ncc1Cl)c1cc2cccc(Cl)c2nc1-c1ccccn1 |r| Show InChI InChI=1S/C20H16Cl2N6/c1-11(26-19-15(22)10-25-20(23)28-19)13-9-12-5-4-6-14(21)17(12)27-18(13)16-7-2-3-8-24-16/h2-11H,1H3,(H3,23,25,26,28)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403062
(CHEMBL2216857)Show SMILES Cn1cc(cn1)-c1ccc2OCCN(C3=NC4CC(C)(C)NC(=O)C4S3)c2c1 |t:15| Show InChI InChI=1S/C20H23N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11,14,17H,6-7,9H2,1-3H3,(H,23,26) | 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 | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in neutrophil assessed as inhibition of superoxide production by cell-based assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323726
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)| Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403079
(CHEMBL2216832)Show SMILES Cc1ccc(nn1)-c1ccc2OCCN(C3=NC4CC(C)(C)NC(=O)C4S3)c2c1 |t:16| Show InChI InChI=1S/C21H23N5O2S/c1-12-4-6-14(25-24-12)13-5-7-17-16(10-13)26(8-9-28-17)20-22-15-11-21(2,3)23-19(27)18(15)29-20/h4-7,10,15,18H,8-9,11H2,1-3H3,(H,23,27) | PDB
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PubMed
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323727
(2-((9H-purin-6-ylthio)methyl)-5-chloro-3-(2-methox...)Show SMILES COc1ccccc1-n1c(CSc2ncnc3nc[nH]c23)nc2cccc(Cl)c2c1=O |(19.17,3.9,;19.17,2.36,;20.51,1.59,;21.84,2.36,;23.18,1.61,;23.18,.05,;21.86,-.72,;20.52,.04,;19.19,-.72,;19.2,-2.28,;20.54,-3.05,;20.54,-4.59,;21.87,-5.36,;21.86,-6.89,;23.22,-7.65,;24.55,-6.88,;24.53,-5.33,;25.67,-4.3,;25.02,-2.9,;23.5,-3.07,;23.19,-4.57,;17.86,-3.06,;16.53,-2.29,;15.19,-3.06,;13.86,-2.29,;13.85,-.75,;15.18,.02,;15.18,1.56,;16.52,-.75,;17.85,.03,;17.85,1.57,)| Show InChI InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26) | PDB
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| MMDB
Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403087
(CHEMBL2216845)Show SMILES O=C(Nc1nnn[nH]1)c1cnc(nc1OC1CCCCCC1)N1CCOCC1 Show InChI InChI=1S/C17H24N8O3/c26-14(19-16-21-23-24-22-16)13-11-18-17(25-7-9-27-10-8-25)20-15(13)28-12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H2,19,21,22,23,24,26) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004548
(CHEMBL2216864)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1c(nc2c(C)cccn12)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C21H17F2N7/c1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13/h3-10,12H,1-2H3,(H2,24,25,26,27,28) | PDB
MMDB
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KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004546
(CHEMBL2216861)Show SMILES CC(c1oc2ccccc2c(=O)c1-c1cccc(F)c1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C22H16FN5O2/c1-12(28-11-27-18-21(24)25-10-26-22(18)28)20-17(13-5-4-6-14(23)9-13)19(29)15-7-2-3-8-16(15)30-20/h2-12H,1H3,(H2,24,25,26) | PDB
MMDB
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KEGG
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | <250 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50403077
(CHEMBL2216899)Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2OC(F)(F)Oc2c1 |w:7.8,t:1| Show InChI InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403093
(CHEMBL2216858)Show SMILES C1CN(CCO1)c1nc(cc2ccccc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C21H19N3O/c1-2-5-16-15(4-1)14-20(23-21(16)24-10-12-25-13-11-24)17-6-3-7-19-18(17)8-9-22-19/h1-9,14,22H,10-13H2 | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM12915
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | PDB
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol as substrate by gamma33P[ATP] incorporation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM81368
(PIK90)Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24) | PDB
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MCE
PC cid
PC sid
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PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403067
(CHEMBL2216876)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)cc2cccc(C)c2c1=O |(7.35,-15.23,;6.01,-14.47,;4.69,-15.24,;3.34,-14.47,;3.34,-12.93,;4.67,-12.16,;6.01,-12.93,;7.34,-12.16,;7.34,-10.62,;6,-9.85,;6,-8.31,;7.41,-7.69,;7.26,-6.16,;8.4,-5.13,;9.87,-5.61,;11.02,-4.59,;12.48,-5.07,;10.7,-3.08,;9.23,-2.6,;8.91,-1.09,;8.09,-3.63,;5.76,-5.83,;5,-4.5,;5.78,-3.17,;3.45,-4.48,;2.68,-5.82,;3.43,-7.17,;4.97,-7.16,;8.67,-9.84,;10,-10.62,;11.32,-9.85,;12.65,-10.61,;12.66,-12.15,;11.32,-12.92,;11.32,-14.46,;10,-12.15,;8.67,-12.92,;8.67,-14.46,)| Show InChI InChI=1S/C29H23FN6O2/c1-16-6-3-4-9-23(16)36-21(11-18-8-5-7-17(2)24(18)29(36)38)14-35-28-25(27(31)32-15-33-28)26(34-35)19-10-20(30)13-22(37)12-19/h3-13,15,37H,14H2,1-2H3,(H2,31,32,33) | PDB
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PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta by cell-based proliferation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323726
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)| Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB
MMDB
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in presence of 200 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004548
(CHEMBL2216864)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1c(nc2c(C)cccn12)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C21H17F2N7/c1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13/h3-10,12H,1-2H3,(H2,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta-mediated AKT phosphorylation in human Ramos cells by ELISA |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403063
(CHEMBL2216862 | US9321773, 15)Show SMILES COc1cccc(Cn2c(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)nc3cccc(C#C)c3c2=O)c1 Show InChI InChI=1S/C30H23N7O3/c1-3-19-8-6-12-23-25(19)30(39)36(15-18-7-4-11-22(13-18)40-2)24(34-23)16-37-29-26(28(31)32-17-33-29)27(35-37)20-9-5-10-21(38)14-20/h1,4-14,17,38H,15-16H2,2H3,(H2,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta assessed as inhibition of H2O2-induced AKT phosphorylation by cell-based assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004531
(CHEMBL2216854)Show SMILES CC(=O)Nc1nc2CCc3c(nn(C4CCC(CC4)C(=O)N[C@H]4CC[C@@H](CC4)N4CCCC4)c3-c2s1)C1CC1 |r,wU:22.22,wD:25.29,(13.94,-25.73,;14.1,-27.26,;15.51,-27.88,;12.86,-28.17,;13.03,-29.71,;14.36,-30.47,;14.05,-31.97,;14.96,-33.22,;14.34,-34.62,;12.81,-34.78,;11.91,-36.03,;10.45,-35.56,;10.44,-34.02,;9.11,-33.23,;7.77,-34,;6.44,-33.23,;6.45,-31.7,;7.78,-30.91,;9.11,-31.69,;5.11,-30.93,;5.11,-29.39,;3.78,-31.7,;3.78,-33.23,;5.11,-34.01,;5.11,-35.55,;3.78,-36.32,;2.45,-35.55,;2.45,-34.01,;3.78,-37.86,;2.54,-38.77,;3.01,-40.23,;4.55,-40.23,;5.03,-38.77,;11.91,-33.54,;12.52,-32.13,;11.9,-30.74,;12.4,-37.49,;12.08,-39,;13.54,-38.52,)| Show InChI InChI=1S/C30H42N6O2S/c1-18(37)31-30-33-25-15-14-24-26(19-4-5-19)34-36(27(24)28(25)39-30)23-10-6-20(7-11-23)29(38)32-21-8-12-22(13-9-21)35-16-2-3-17-35/h19-23H,2-17H2,1H3,(H,32,38)(H,31,33,37)/t20?,21-,22-,23? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403071
(CHEMBL2216887)Show SMILES CC(c1nc2n(C)nc(Br)c2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C19H16BrN9O/c1-10(28-9-24-13-15(21)22-8-23-18(13)28)16-25-17-12(14(20)26-27(17)2)19(30)29(16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 665 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in neutrophil assessed as elastase release by cell-based assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403072
(CHEMBL2216886)Show SMILES CC(c1nc2cccnc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C20H16N8O/c1-12(27-11-25-16-17(21)23-10-24-19(16)27)18-26-14-8-5-9-22-15(14)20(29)28(18)13-6-3-2-4-7-13/h2-12H,1H3,(H2,21,23,24) | 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 | 665 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in neutrophil assessed as elastase release by cell-based assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM12915
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | PDB
MMDB
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Reactome pathway
KEGG
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CHEMBL
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| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha using phosphatidylinositol as substrate by gamma33P[ATP] incorporation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM12915
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
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MMDB
PC cid
PC sid
PDB
UniChem
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| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol as substrate by gamma33P[ATP] incorporation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50004541
(CHEMBL2216851)Show SMILES COc1ccc(cc1F)-c1nn(C)c2nc(N)nc(NCc3ccccc3)c12 Show InChI InChI=1S/C20H19FN6O/c1-27-19-16(17(26-27)13-8-9-15(28-2)14(21)10-13)18(24-20(22)25-19)23-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H3,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403094
(CHEMBL2216879)Show InChI InChI=1S/C19H21N3O3/c1-12(2)10-22-11-21-18-16(19(22)24)15(13(3)25-18)17(23)20-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50403077
(CHEMBL2216899)Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2OC(F)(F)Oc2c1 |w:7.8,t:1| Show InChI InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16) | 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 | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM12915
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
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MMDB
PC cid
PC sid
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UniChem
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma using phosphatidylinositol as substrate by gamma33P[ATP] incorporation assay |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50323727
(2-((9H-purin-6-ylthio)methyl)-5-chloro-3-(2-methox...)Show SMILES COc1ccccc1-n1c(CSc2ncnc3nc[nH]c23)nc2cccc(Cl)c2c1=O |(19.17,3.9,;19.17,2.36,;20.51,1.59,;21.84,2.36,;23.18,1.61,;23.18,.05,;21.86,-.72,;20.52,.04,;19.19,-.72,;19.2,-2.28,;20.54,-3.05,;20.54,-4.59,;21.87,-5.36,;21.86,-6.89,;23.22,-7.65,;24.55,-6.88,;24.53,-5.33,;25.67,-4.3,;25.02,-2.9,;23.5,-3.07,;23.19,-4.57,;17.86,-3.06,;16.53,-2.29,;15.19,-3.06,;13.86,-2.29,;13.85,-.75,;15.18,.02,;15.18,1.56,;16.52,-.75,;17.85,.03,;17.85,1.57,)| Show InChI InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MMDB
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50323726
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)| Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
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| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50323727
(2-((9H-purin-6-ylthio)methyl)-5-chloro-3-(2-methox...)Show SMILES COc1ccccc1-n1c(CSc2ncnc3nc[nH]c23)nc2cccc(Cl)c2c1=O |(19.17,3.9,;19.17,2.36,;20.51,1.59,;21.84,2.36,;23.18,1.61,;23.18,.05,;21.86,-.72,;20.52,.04,;19.19,-.72,;19.2,-2.28,;20.54,-3.05,;20.54,-4.59,;21.87,-5.36,;21.86,-6.89,;23.22,-7.65,;24.55,-6.88,;24.53,-5.33,;25.67,-4.3,;25.02,-2.9,;23.5,-3.07,;23.19,-4.57,;17.86,-3.06,;16.53,-2.29,;15.19,-3.06,;13.86,-2.29,;13.85,-.75,;15.18,.02,;15.18,1.56,;16.52,-.75,;17.85,.03,;17.85,1.57,)| Show InChI InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403077
(CHEMBL2216899)Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2OC(F)(F)Oc2c1 |w:7.8,t:1| Show InChI InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50403077
(CHEMBL2216899)Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2OC(F)(F)Oc2c1 |w:7.8,t:1| Show InChI InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50323726
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)| Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50323727
(2-((9H-purin-6-ylthio)methyl)-5-chloro-3-(2-methox...)Show SMILES COc1ccccc1-n1c(CSc2ncnc3nc[nH]c23)nc2cccc(Cl)c2c1=O |(19.17,3.9,;19.17,2.36,;20.51,1.59,;21.84,2.36,;23.18,1.61,;23.18,.05,;21.86,-.72,;20.52,.04,;19.19,-.72,;19.2,-2.28,;20.54,-3.05,;20.54,-4.59,;21.87,-5.36,;21.86,-6.89,;23.22,-7.65,;24.55,-6.88,;24.53,-5.33,;25.67,-4.3,;25.02,-2.9,;23.5,-3.07,;23.19,-4.57,;17.86,-3.06,;16.53,-2.29,;15.19,-3.06,;13.86,-2.29,;13.85,-.75,;15.18,.02,;15.18,1.56,;16.52,-.75,;17.85,.03,;17.85,1.57,)| Show InChI InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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CHEMBL
MMDB
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50323726
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)| Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in presence of 10 uM ATP |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
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