Found 1853 hits with Last Name = 'orr' and Initial = 'st' 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 |
|---|
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM462197
(US10766884, Example F15 | US11220494, Example F15)Show SMILES CC(C)(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F |r| Show InChI InChI=1S/C21H26F2N6O3S/c1-21(2,3)29-11-25-19-13(22)7-12(8-16(19)29)18-14(23)9-24-20(27-18)26-15-5-6-28(10-17(15)30)33(4,31)32/h7-9,11,15,17,30H,5-6,10H2,1-4H3,(H,24,26,27)/t15-,17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2XG9V9M |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM533367
(US11220494, Example A25)Show SMILES CC(C)c1n(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2XG9V9M |
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
(Homo sapiens (Human)) | BDBM340401
(US9758538, Example 89)Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)N2CCC2)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C21H29N9O3/c22-18-23-11-15(12-24-18)16-10-17(26-19(25-16)28-6-8-33-9-7-28)27-21(14-31)2-5-30(13-21)20(32)29-3-1-4-29/h10-12,31H,1-9,13-14H2,(H2,22,23,24)(H,25,26,27)/t21-/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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340404
(US9758538, Example 92)Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2CC2)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C21H28N8O3/c22-19-23-10-15(11-24-19)16-9-17(26-20(25-16)28-5-7-32-8-6-28)27-21(13-30)3-4-29(12-21)18(31)14-1-2-14/h9-11,14,30H,1-8,12-13H2,(H2,22,23,24)(H,25,26,27)/t21-/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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340405
(US9758538, Example 93)Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C21H28N8O4/c22-18-23-10-14(11-24-18)16-9-17(26-19(25-16)28-5-7-32-8-6-28)27-21(13-30)3-4-29(12-21)20(31)33-15-1-2-15/h9-11,15,30H,1-8,12-13H2,(H2,22,23,24)(H,25,26,27)/t21-/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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340414
(US9758538, Example 102)Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)cc(n1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C22H30N8O4/c1-14-11-33-7-6-30(14)20-26-17(15-9-24-19(23)25-10-15)8-18(27-20)28-22(13-31)4-5-29(12-22)21(32)34-16-2-3-16/h8-10,14,16,31H,2-7,11-13H2,1H3,(H2,23,24,25)(H,26,27,28)/t14-,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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340423
(US9758538, Example 111)Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC(C)(C)C)c(F)c(n1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C23H33FN8O4/c1-14-11-35-8-7-32(14)20-28-17(15-9-26-19(25)27-10-15)16(24)18(29-20)30-23(13-33)5-6-31(12-23)21(34)36-22(2,3)4/h9-10,14,33H,5-8,11-13H2,1-4H3,(H2,25,26,27)(H,28,29,30)/t14-,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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340426
(US9758538, Example 114)Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C20H27FN8O4/c1-12-9-33-6-5-29(12)18-25-15(13-7-23-17(22)24-8-13)14(21)16(26-18)27-20(11-30)3-4-28(10-20)19(31)32-2/h7-8,12,30H,3-6,9-11H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t12-,20-/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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340428
(US9758538, Example 117)Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)c(F)c(n1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C22H29FN8O4/c1-13-10-34-7-6-31(13)20-27-17(14-8-25-19(24)26-9-14)16(23)18(28-20)29-22(12-32)4-5-30(11-22)21(33)35-15-2-3-15/h8-9,13,15,32H,2-7,10-12H2,1H3,(H2,24,25,26)(H,27,28,29)/t13-,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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340430
(US9758538, Example 119)Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)c(F)c(n1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C21H27F3N8O4/c1-12-8-35-5-4-32(12)19-28-16(13-6-26-18(25)27-7-13)15(24)17(29-19)30-21(11-33)2-3-31(10-21)20(34)36-9-14(22)23/h6-7,12,14,33H,2-5,8-11H2,1H3,(H2,25,26,27)(H,28,29,30)/t12-,21-/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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340431
(US9758538, Example 120)Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)C2CC2)c(F)c(n1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C22H29FN8O3/c1-13-10-34-7-6-31(13)21-27-17(15-8-25-20(24)26-9-15)16(23)18(28-21)29-22(12-32)4-5-30(11-22)19(33)14-2-3-14/h8-9,13-14,32H,2-7,10-12H2,1H3,(H2,24,25,26)(H,27,28,29)/t13-,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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340449
(US9758538, Example 139)Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCCF)c1F)N1CCOCC1 |r| Show InChI InChI=1S/C20H26F2N8O4/c21-2-6-34-19(32)30-3-1-20(11-30,12-31)28-16-14(22)15(13-9-24-17(23)25-10-13)26-18(27-16)29-4-7-33-8-5-29/h9-10,31H,1-8,11-12H2,(H2,23,24,25)(H,26,27,28)/t20-/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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340459
(US9758538, Example 149)Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1 |r| Show InChI InChI=1S/C21H27F3N8O4/c22-14(23)10-36-20(34)32-3-1-2-21(11-32,12-33)30-17-15(24)16(13-8-26-18(25)27-9-13)28-19(29-17)31-4-6-35-7-5-31/h8-9,14,33H,1-7,10-12H2,(H2,25,26,27)(H,28,29,30)/t21-/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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340464
(US9758538, Example 154)Show SMILES COC(=O)N1CCC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C20H27FN8O4/c1-32-19(31)29-4-2-3-20(11-29,12-30)27-16-14(21)15(13-9-23-17(22)24-10-13)25-18(26-16)28-5-7-33-8-6-28/h9-10,30H,2-8,11-12H2,1H3,(H2,22,23,24)(H,25,26,27)/t20-/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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340317
(US9758538, Example 5)Show SMILES COC(=O)N1CCC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C20H28N8O4/c1-31-19(30)28-4-2-3-20(12-28,13-29)26-16-9-15(14-10-22-17(21)23-11-14)24-18(25-16)27-5-7-32-8-6-27/h9-11,29H,2-8,12-13H2,1H3,(H2,21,22,23)(H,24,25,26)/t20-/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
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340319
(US9758538, Example 7 | US9758538, Example 8 | US97...)Show SMILES CC(C)(C)OC(=O)N1CCC(CO)(C1)Oc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 Show InChI InChI=1S/C22H31N7O5/c1-21(2,3)34-20(31)29-5-4-22(13-29,14-30)33-17-10-16(15-11-24-18(23)25-12-15)26-19(27-17)28-6-8-32-9-7-28/h10-12,30H,4-9,13-14H2,1-3H3,(H2,23,24,25) | PDB
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| US Patent
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PFIZER INC.
US Patent
| Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340337
(US9758538, Example 25 | US9758538, Example 26 | US...)Show SMILES CN(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1)C1(CO)CCN(C1)C(=O)OC(C)(C)C Show InChI InChI=1S/C23H34N8O4/c1-22(2,3)35-21(33)31-6-5-23(14-31,15-32)29(4)18-11-17(16-12-25-19(24)26-13-16)27-20(28-18)30-7-9-34-10-8-30/h11-13,32H,5-10,14-15H2,1-4H3,(H2,24,25,26) | PDB
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| US Patent
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PFIZER INC.
US Patent
| Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340348
(US9758538, Example 36)Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC(C)(C)C)cc(n1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C23H34N8O4/c1-15-12-34-8-7-31(15)20-27-17(16-10-25-19(24)26-11-16)9-18(28-20)29-23(14-32)5-6-30(13-23)21(33)35-22(2,3)4/h9-11,15,32H,5-8,12-14H2,1-4H3,(H2,24,25,26)(H,27,28,29)/t15-,23-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340350
(US9758538, Example 38)Show SMILES CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C22H31FN8O4/c1-21(2,3)35-20(33)31-5-4-22(12-31,13-32)29-17-15(23)16(14-10-25-18(24)26-11-14)27-19(28-17)30-6-8-34-9-7-30/h10-11,32H,4-9,12-13H2,1-3H3,(H2,24,25,26)(H,27,28,29)/t22-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340368
(US9758538, Example 56)Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CC2)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C21H27FN8O3/c22-21(1-2-21)17(32)30-4-3-20(12-30,13-31)28-16-9-15(14-10-24-18(23)25-11-14)26-19(27-16)29-5-7-33-8-6-29/h9-11,31H,1-8,12-13H2,(H2,23,24,25)(H,26,27,28)/t20-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha
(Homo sapiens (Human)) | BDBM340376
(US9758538, Example 64)Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOC[C@@H]1C)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C21H30N8O4/c1-3-33-20(31)28-5-4-21(12-28,13-30)27-17-8-16(15-9-23-18(22)24-10-15)25-19(26-17)29-6-7-32-11-14(29)2/h8-10,14,30H,3-7,11-13H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t14-,21-/m0/s1 | PDB
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PFIZER INC.
US Patent
| Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#... |
US Patent US9758538 (2017)
BindingDB Entry DOI: 10.7270/Q27D2X70 |
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)) | 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)) | 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)) | 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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| 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 [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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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 [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 [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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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 [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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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 [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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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 [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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| PC cid
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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)) | 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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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 [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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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 [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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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 [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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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 [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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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 [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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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 [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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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 [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
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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 [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
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UniChem
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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 | |
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