Found 5192 hits with Last Name = 'shen' and Initial = 'h' 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 |
|---|
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50498230
(CHEMBL3577576)Show SMILES [H][C@]12OC[C@H](OC)[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-28-27(26)25(37-4)17-38-28/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)/t23-,24+,25-,26-,27-,28+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.00300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University
Curated by ChEMBL
| Assay Description
Inhibition of wild type HIV1 protease |
J Med Chem 58: 5088-95 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00474
BindingDB Entry DOI: 10.7270/Q27D2Z42 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM8125
((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University
Curated by ChEMBL
| Assay Description
Inhibition of wild type HIV1 protease |
J Med Chem 58: 5088-95 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00474
BindingDB Entry DOI: 10.7270/Q27D2Z42 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50498229
(CHEMBL3577575)Show SMILES [H][C@@]12OC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)[C@]1([H])C(F)(F)CO2 |r| Show InChI InChI=1S/C27H35F2N3O7S/c1-17(2)13-32(40(35,36)20-10-8-19(30)9-11-20)14-22(33)21(12-18-6-4-3-5-7-18)31-26(34)39-23-15-37-25-24(23)27(28,29)16-38-25/h3-11,17,21-25,33H,12-16,30H2,1-2H3,(H,31,34)/t21-,22+,23-,24-,25-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University
Curated by ChEMBL
| Assay Description
Inhibition of wild type HIV1 protease |
J Med Chem 58: 5088-95 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00474
BindingDB Entry DOI: 10.7270/Q27D2Z42 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207303
(US9260439, 487)Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)C(C)(N)CO |r| Show InChI InChI=1S/C24H35N9O3/c1-15-12-36-9-8-32(15)22-29-18(16-10-27-21(25)28-11-16)17-4-6-33(19(17)30-22)23(2)5-7-31(13-23)20(35)24(3,26)14-34/h10-11,15,34H,4-9,12-14,26H2,1-3H3,(H2,25,27,28)/t15-,23-,24?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207169
(US9260439, 146)Show SMILES CC1(CCN(C1)S(C)(=O)=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C20H28N8O3S/c1-20(4-6-27(13-20)32(2,29)30)28-5-3-15-16(14-11-22-18(21)23-12-14)24-19(25-17(15)28)26-7-9-31-10-8-26/h11-12H,3-10,13H2,1-2H3,(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207387
(US9260439, 271)Show SMILES CC(C)[C@@H](O)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C24H34N8O3/c1-15(2)19(33)21(34)31-7-5-24(3,14-31)32-6-4-17-18(16-12-26-22(25)27-13-16)28-23(29-20(17)32)30-8-10-35-11-9-30/h12-13,15,19,33H,4-11,14H2,1-3H3,(H2,25,26,27)/t19-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207445
(US9260439, 329)Show SMILES CC1(CC1)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C24H32N8O2/c1-23(4-5-23)20(33)31-8-6-24(2,15-31)32-7-3-17-18(16-13-26-21(25)27-14-16)28-22(29-19(17)32)30-9-11-34-12-10-30/h13-14H,3-12,15H2,1-2H3,(H2,25,26,27)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207448
(US9260439, 332)Show SMILES C[C@@]1(CCN(C1)C(=O)[C@H]1C[C@@H]1F)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H29FN8O2/c1-23(3-5-31(13-23)20(33)16-10-17(16)24)32-4-2-15-18(14-11-26-21(25)27-12-14)28-22(29-19(15)32)30-6-8-34-9-7-30/h11-12,16-17H,2-10,13H2,1H3,(H2,25,26,27)/t16-,17-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207451
(US9260439, 335)Show SMILES C[C@@]1(CCN(C1)C(=O)[C@H]1C[C@H]1F)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H29FN8O2/c1-23(3-5-31(13-23)20(33)16-10-17(16)24)32-4-2-15-18(14-11-26-21(25)27-12-14)28-22(29-19(15)32)30-6-8-34-9-7-30/h11-12,16-17H,2-10,13H2,1H3,(H2,25,26,27)/t16-,17+,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207453
(US9260439, 337)Show SMILES C[C@@]1(CCN(C1)C(=O)[C@@H]1CC1(F)F)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H28F2N8O2/c1-22(3-5-32(13-22)19(34)16-10-23(16,24)25)33-4-2-15-17(14-11-27-20(26)28-12-14)29-21(30-18(15)33)31-6-8-35-9-7-31/h11-12,16H,2-10,13H2,1H3,(H2,26,27,28)/t16-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207457
(US9260439, 341)Show SMILES C[C@@]1(CCN(C1)C(=O)C1CCC1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C24H32N8O2/c1-24(6-8-31(15-24)21(33)16-3-2-4-16)32-7-5-18-19(17-13-26-22(25)27-14-17)28-23(29-20(18)32)30-9-11-34-12-10-30/h13-14,16H,2-12,15H2,1H3,(H2,25,26,27)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207349
(US9260439, 233)Show SMILES CC(C)(N)C(=O)N1CC[C@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C23H33N9O2/c1-22(2,25)19(33)31-7-5-23(3,14-31)32-6-4-16-17(15-12-26-20(24)27-13-15)28-21(29-18(16)32)30-8-10-34-11-9-30/h12-13H,4-11,14,25H2,1-3H3,(H2,24,26,27)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207352
(US9260439, 236 | US9260439, 237)Show SMILES CC1(CC1)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C24H32N8O2/c1-23(4-5-23)20(33)31-8-6-24(2,15-31)32-7-3-17-18(16-13-26-21(25)27-14-16)28-22(29-19(17)32)30-9-11-34-12-10-30/h13-14H,3-12,15H2,1-2H3,(H2,25,26,27)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207217
(US9260439, 194 | US9260439, 238 | US9260439, 239)Show SMILES CC(C)(C)OC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
US Patent
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207380
(US9260439, 264)Show SMILES CC(C)(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C24H34N8O2/c1-23(2,3)20(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-21(25)27-14-16)28-22(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207468
(US9260439, 352)Show SMILES C[C@@]1(CCN(C1)C(=O)C1(F)CNC1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H30FN9O2/c1-22(3-5-32(14-22)19(34)23(24)12-26-13-23)33-4-2-16-17(15-10-27-20(25)28-11-15)29-21(30-18(16)33)31-6-8-35-9-7-31/h10-11,26H,2-9,12-14H2,1H3,(H2,25,27,28)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207296
(US9260439, 480)Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)[C@H](N)CF |r| Show InChI InChI=1S/C23H32FN9O2/c1-14-12-35-8-7-32(14)22-29-18(15-10-27-21(26)28-11-15)16-3-5-33(19(16)30-22)23(2)4-6-31(13-23)20(34)17(25)9-24/h10-11,14,17H,3-9,12-13,25H2,1-2H3,(H2,26,27,28)/t14-,17+,23-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207301
(US9260439, 485)Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)[C@@](C)(N)CO |r| Show InChI InChI=1S/C24H35N9O3/c1-15-12-36-9-8-32(15)22-29-18(16-10-27-21(25)28-11-16)17-4-6-33(19(17)30-22)23(2)5-7-31(13-23)20(35)24(3,26)14-34/h10-11,15,34H,4-9,12-14,26H2,1-3H3,(H2,25,27,28)/t15-,23-,24-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207302
(US9260439, 486)Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)[C@](C)(N)CO |r| Show InChI InChI=1S/C24H35N9O3/c1-15-12-36-9-8-32(15)22-29-18(16-10-27-21(25)28-11-16)17-4-6-33(19(17)30-22)23(2)5-7-31(13-23)20(35)24(3,26)14-34/h10-11,15,34H,4-9,12-14,26H2,1-3H3,(H2,25,27,28)/t15-,23-,24+/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207304
(US9260439, 488)Show SMILES CNC(C)(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C25H37N9O2/c1-16-14-36-11-10-33(16)23-30-19(17-12-28-22(26)29-13-17)18-6-8-34(20(18)31-23)25(4)7-9-32(15-25)21(35)24(2,3)27-5/h12-13,16,27H,6-11,14-15H2,1-5H3,(H2,26,28,29)/t16-,25-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207305
(US9260439, 489)Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)C(F)(F)CN |r| Show InChI InChI=1S/C23H31F2N9O2/c1-14-11-36-8-7-33(14)21-30-17(15-9-28-20(27)29-10-15)16-3-5-34(18(16)31-21)22(2)4-6-32(13-22)19(35)23(24,25)12-26/h9-10,14H,3-8,11-13,26H2,1-2H3,(H2,27,28,29)/t14-,22-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207312
(US9260439, 496)Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)C1(F)CCN1 |r| Show InChI InChI=1S/C24H32FN9O2/c1-15-13-36-10-9-33(15)22-30-18(16-11-27-21(26)28-12-16)17-3-7-34(19(17)31-22)23(2)5-8-32(14-23)20(35)24(25)4-6-29-24/h11-12,15,29H,3-10,13-14H2,1-2H3,(H2,26,27,28)/t15-,23-,24?/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207324
(US9260439, 508)Show SMILES COC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H30N8O3/c1-14-12-33-9-8-29(14)20-26-17(15-10-24-19(23)25-11-15)16-4-6-30(18(16)27-20)22(2)5-7-28(13-22)21(31)32-3/h10-11,14H,4-9,12-13H2,1-3H3,(H2,23,24,25)/t14-,22-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207326
(US9260439, 510)Show SMILES C[C@@H]1CN(C[C@@]1(C)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H38N8O3/c1-16-13-32(24(35)37-25(3,4)5)15-26(16,6)34-8-7-19-20(18-11-28-22(27)29-12-18)30-23(31-21(19)34)33-9-10-36-14-17(33)2/h11-12,16-17H,7-10,13-15H2,1-6H3,(H2,27,28,29)/t16-,17+,26-/m1/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207343
(US9260439, 527)Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]12C[C@@H]1CN(C2)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C25H34N8O3/c1-15-13-35-8-7-32(15)22-29-19(16-10-27-21(26)28-11-16)18-5-6-33(20(18)30-22)25-9-17(25)12-31(14-25)23(34)36-24(2,3)4/h10-11,15,17H,5-9,12-14H2,1-4H3,(H2,26,27,28)/t15-,17+,25+/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207227
(US9260439, 204)Show SMILES CC(C)S(=O)(=O)N1CC(C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H32N8O3S/c1-14(2)34(31,32)28-12-22(4,13-28)30-6-5-17-18(16-9-24-20(23)25-10-16)26-21(27-19(17)30)29-7-8-33-11-15(29)3/h9-10,14-15H,5-8,11-13H2,1-4H3,(H2,23,24,25)/t15-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207217
(US9260439, 194 | US9260439, 238 | US9260439, 239)Show SMILES CC(C)(C)OC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207378
(US9260439, 262)Show SMILES CC(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H32N8O2/c1-15(2)20(32)30-7-5-23(3,14-30)31-6-4-17-18(16-12-25-21(24)26-13-16)27-22(28-19(17)31)29-8-10-33-11-9-29/h12-13,15H,4-11,14H2,1-3H3,(H2,24,25,26)/t23-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207522
(US9260439, 406)Show SMILES CC(C)OC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H32N8O3/c1-15(2)34-22(32)30-7-5-23(3,14-30)31-6-4-17-18(16-12-25-20(24)26-13-16)27-21(28-19(17)31)29-8-10-33-11-9-29/h12-13,15H,4-11,14H2,1-3H3,(H2,24,25,26)/t23-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207526
(US9260439, 410 | US9260439, 411)Show SMILES CC[C@@]1(CCN(C1)C(=O)OC(C)(C)C)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H36N8O3/c1-5-25(7-9-32(16-25)23(34)36-24(2,3)4)33-8-6-18-19(17-14-27-21(26)28-15-17)29-22(30-20(18)33)31-10-12-35-13-11-31/h14-15H,5-13,16H2,1-4H3,(H2,26,27,28)/t25-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207533
(US9260439, 417)Show SMILES CN1CC[C@@H](C1)OC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H35N9O3/c1-25(5-8-33(16-25)24(35)37-18-3-6-31(2)15-18)34-7-4-19-20(17-13-27-22(26)28-14-17)29-23(30-21(19)34)32-9-11-36-12-10-32/h13-14,18H,3-12,15-16H2,1-2H3,(H2,26,27,28)/t18-,25-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207394
(US9260439, 278)Show SMILES COC(C)(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C24H34N8O3/c1-23(2,34-4)20(33)31-8-6-24(3,15-31)32-7-5-17-18(16-13-26-21(25)27-14-16)28-22(29-19(17)32)30-9-11-35-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207406
(US9260439, 290 | US9260439, 291)Show SMILES CCC(C)(N)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C24H35N9O2/c1-4-24(3,26)20(34)32-8-6-23(2,15-32)33-7-5-17-18(16-13-27-21(25)28-14-16)29-22(30-19(17)33)31-9-11-35-12-10-31/h13-14H,4-12,15,26H2,1-3H3,(H2,25,27,28)/t23-,24?/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207410
(US9260439, 294 | US9260439, 295)Show SMILES CC(N)(CF)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H32FN9O2/c1-22(4-6-32(14-22)19(34)23(2,26)13-24)33-5-3-16-17(15-11-27-20(25)28-12-15)29-21(30-18(16)33)31-7-9-35-10-8-31/h11-12H,3-10,13-14,26H2,1-2H3,(H2,25,27,28)/t22-,23?/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207415
(US9260439, 299)Show SMILES CN(C)CC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H33N9O2/c1-23(5-7-31(15-23)18(33)14-29(2)3)32-6-4-17-19(16-12-25-21(24)26-13-16)27-22(28-20(17)32)30-8-10-34-11-9-30/h12-13H,4-11,14-15H2,1-3H3,(H2,24,25,26)/t23-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207430
(US9260439, 314)Show SMILES C[C@@]1(CCN(C1)C(=O)[C@H](N)C(F)(F)F)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C22H28F3N9O2/c1-21(3-5-33(12-21)18(35)16(26)22(23,24)25)34-4-2-14-15(13-10-28-19(27)29-11-13)30-20(31-17(14)34)32-6-8-36-9-7-32/h10-11,16H,2-9,12,26H2,1H3,(H2,27,28,29)/t16-,21-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207438
(US9260439, 322)Show SMILES CCOC(=O)C(C)(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C26H36N8O4/c1-5-38-22(36)25(2,3)21(35)33-9-7-26(4,16-33)34-8-6-18-19(17-14-28-23(27)29-15-17)30-24(31-20(18)34)32-10-12-37-13-11-32/h14-15H,5-13,16H2,1-4H3,(H2,27,28,29)/t26-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207447
(US9260439, 331)Show SMILES C[C@@]1(CCN(C1)C(=O)C1(F)CC1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H29FN8O2/c1-22(5-7-31(14-22)19(33)23(24)3-4-23)32-6-2-16-17(15-12-26-20(25)27-13-15)28-21(29-18(16)32)30-8-10-34-11-9-30/h12-13H,2-11,14H2,1H3,(H2,25,26,27)/t22-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207449
(US9260439, 333)Show SMILES C[C@@]1(CCN(C1)C(=O)[C@@H]1C[C@H]1F)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H29FN8O2/c1-23(3-5-31(13-23)20(33)16-10-17(16)24)32-4-2-15-18(14-11-26-21(25)27-12-14)28-22(29-19(15)32)30-6-8-34-9-7-30/h11-12,16-17H,2-10,13H2,1H3,(H2,25,26,27)/t16-,17-,23+/m1/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207476
(US9260439, 360)Show SMILES C[C@@]1(CCN(C1)C(=O)N1CCC1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H31N9O2/c1-23(4-8-31(15-23)22(33)30-5-2-6-30)32-7-3-17-18(16-13-25-20(24)26-14-16)27-21(28-19(17)32)29-9-11-34-12-10-29/h13-14H,2-12,15H2,1H3,(H2,24,25,26)/t23-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207185
(US9260439, 162)Show SMILES CNS(=O)(=O)N1CCC(C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C20H29N9O3S/c1-20(4-6-28(13-20)33(30,31)22-2)29-5-3-15-16(14-11-23-18(21)24-12-14)25-19(26-17(15)29)27-7-9-32-10-8-27/h11-12,22H,3-10,13H2,1-2H3,(H2,21,23,24) | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207196
(US9260439, 173)Show SMILES CNS(=O)(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C20H29N9O3S/c1-20(4-6-28(13-20)33(30,31)22-2)29-5-3-15-16(14-11-23-18(21)24-12-14)25-19(26-17(15)29)27-7-9-32-10-8-27/h11-12,22H,3-10,13H2,1-2H3,(H2,21,23,24)/t20-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207292
(US9260439, 476)Show SMILES C[C@@H](N)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C23H33N9O2/c1-14-12-34-9-8-31(14)22-28-18(16-10-26-21(25)27-11-16)17-4-6-32(19(17)29-22)23(3)5-7-30(13-23)20(33)15(2)24/h10-11,14-15H,4-9,12-13,24H2,1-3H3,(H2,25,26,27)/t14-,15+,23-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207300
(US9260439, 484)Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)C(C)(C)CN |r| Show InChI InChI=1S/C25H37N9O2/c1-16-13-36-10-9-33(16)23-30-19(17-11-28-22(27)29-12-17)18-5-7-34(20(18)31-23)25(4)6-8-32(15-25)21(35)24(2,3)14-26/h11-12,16H,5-10,13-15,26H2,1-4H3,(H2,27,28,29)/t16-,25-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207306
(US9260439, 490)Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)[C@@H](N)C(F)(F)F |r| Show InChI InChI=1S/C23H30F3N9O2/c1-13-11-37-8-7-34(13)21-31-16(14-9-29-20(28)30-10-14)15-3-5-35(18(15)32-21)22(2)4-6-33(12-22)19(36)17(27)23(24,25)26/h9-10,13,17H,3-8,11-12,27H2,1-2H3,(H2,28,29,30)/t13-,17+,22-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207328
(US9260439, 512)Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C25H36N8O3/c1-16-14-35-11-10-32(16)22-29-19(17-12-27-21(26)28-13-17)18-6-8-33(20(18)30-22)25(5)7-9-31(15-25)23(34)36-24(2,3)4/h12-13,16H,6-11,14-15H2,1-5H3,(H2,26,27,28)/t16-,25-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207499
(US9260439, 383)Show SMILES C[C@@]1(CCN(C1)C(=O)[C@]1(F)CCNC1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C24H32FN9O2/c1-23(4-7-33(15-23)20(35)24(25)3-5-27-14-24)34-6-2-17-18(16-12-28-21(26)29-13-16)30-22(31-19(17)34)32-8-10-36-11-9-32/h12-13,27H,2-11,14-15H2,1H3,(H2,26,28,29)/t23-,24-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207502
(US9260439, 386)Show SMILES Cc1n[nH]cc1C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C24H30N10O2/c1-15-18(13-28-31-15)21(35)33-6-4-24(2,14-33)34-5-3-17-19(16-11-26-22(25)27-12-16)29-23(30-20(17)34)32-7-9-36-10-8-32/h11-13H,3-10,14H2,1-2H3,(H,28,31)(H2,25,26,27)/t24-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha [Q431L,Q432E,D433V,Q434L,V435F,V436Q,K437G,E438P]/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207505
(US9260439, 389)Show SMILES C[C@@]1(CCN(C1)C(=O)c1cc[nH]n1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N10O2/c1-23(4-7-32(14-23)20(34)17-2-5-27-30-17)33-6-3-16-18(15-12-25-21(24)26-13-15)28-22(29-19(16)33)31-8-10-35-11-9-31/h2,5,12-13H,3-4,6-11,14H2,1H3,(H,27,30)(H2,24,25,26)/t23-/m0/s1 | PDB
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UniChem
| US Patent
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PFIZER INC.
US Patent
| Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone... |
US Patent US9260439 (2016)
BindingDB Entry DOI: 10.7270/Q2VH5MPV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207217
(US9260439, 194 | US9260439, 238 | US9260439, 239)Show SMILES CC(C)(C)OC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1 | PDB
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antibodypedia
antibodypedia
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AffyNet
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PDB
UniChem
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Article
PubMed
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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