Found 63 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 |
|---|
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327426
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H33N7O4/c36-14-11-19-1-5-21(6-2-19)29-28(37)30-22-7-3-20(4-8-22)25-31-26(34-12-15-38-16-13-34)33-27(32-25)35-23-9-10-24(35)18-39-17-23/h1-8,23-24,36H,9-18H2,(H2,29,30,37) | 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 | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | 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
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327425
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H31N7O4/c35-15-18-1-5-20(6-2-18)28-27(36)29-21-7-3-19(4-8-21)24-30-25(33-11-13-37-14-12-33)32-26(31-24)34-22-9-10-23(34)17-38-16-22/h1-8,22-23,35H,9-17H2,(H2,28,29,36) | 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 | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327431
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1cccnc1 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-2-1-9-26-14-19)27-18-5-3-17(4-6-18)22-29-23(32-10-12-35-13-11-32)31-24(30-22)33-20-7-8-21(33)16-36-15-20/h1-6,9,14,20-21H,7-8,10-13,15-16H2,(H2,27,28,34) | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327434
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1cncnc1 Show InChI InChI=1S/C24H27N9O3/c34-24(28-18-11-25-15-26-12-18)27-17-3-1-16(2-4-17)21-29-22(32-7-9-35-10-8-32)31-23(30-21)33-19-5-6-20(33)14-36-13-19/h1-4,11-12,15,19-20H,5-10,13-14H2,(H2,27,28,34) | 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 | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327430
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3C4CCC3COC4)cc2)CC1 Show InChI InChI=1S/C32H41N9O3/c1-38-12-14-39(15-13-38)20-23-2-6-25(7-3-23)33-32(42)34-26-8-4-24(5-9-26)29-35-30(40-16-18-43-19-17-40)37-31(36-29)41-27-10-11-28(41)22-44-21-27/h2-9,27-28H,10-22H2,1H3,(H2,33,34,42) | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327436
(1-(4-(4-((6S)-6-hydroxy-3-oxa-8-azabicyclo[3.2.1]o...)Show SMILES O[C@H]1CC2COCC1N2c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 |r,TLB:0:1:8:5.4.6| Show InChI InChI=1S/C25H28N8O4/c34-21-13-19-14-37-15-20(21)33(19)24-30-22(29-23(31-24)32-9-11-36-12-10-32)16-1-3-17(4-2-16)27-25(35)28-18-5-7-26-8-6-18/h1-8,19-21,34H,9-15H2,(H2,26,27,28,35)/t19?,20?,21-/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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327428
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C31H39N9O3/c1-37-12-14-38(15-13-37)25-8-6-24(7-9-25)33-31(41)32-23-4-2-22(3-5-23)28-34-29(39-16-18-42-19-17-39)36-30(35-28)40-26-10-11-27(40)21-43-20-26/h2-9,26-27H,10-21H2,1H3,(H2,32,33,41) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327422
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H31N7O3/c1-18-2-6-20(7-3-18)28-27(35)29-21-8-4-19(5-9-21)24-30-25(33-12-14-36-15-13-33)32-26(31-24)34-22-10-11-23(34)17-37-16-22/h2-9,22-23H,10-17H2,1H3,(H2,28,29,35) | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327432
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Clc1cc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)ccn1 Show InChI InChI=1S/C25H27ClN8O3/c26-21-13-18(7-8-27-21)29-25(35)28-17-3-1-16(2-4-17)22-30-23(33-9-11-36-12-10-33)32-24(31-22)34-19-5-6-20(34)15-37-14-19/h1-4,7-8,13,19-20H,5-6,9-12,14-15H2,(H2,27,28,29,35) | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327435
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1ccnnc1 Show InChI InChI=1S/C24H27N9O3/c34-24(28-18-7-8-25-26-13-18)27-17-3-1-16(2-4-17)21-29-22(32-9-11-35-12-10-32)31-23(30-21)33-19-5-6-20(33)15-36-14-19/h1-4,7-8,13,19-20H,5-6,9-12,14-15H2,(H2,25,27,28,34) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327421
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C26H28FN7O3/c27-18-3-7-20(8-4-18)29-26(35)28-19-5-1-17(2-6-19)23-30-24(33-11-13-36-14-12-33)32-25(31-23)34-21-9-10-22(34)16-37-15-21/h1-8,21-22H,9-16H2,(H2,28,29,35) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327429
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C30H38N8O4/c1-36(2)13-18-42-26-11-7-23(8-12-26)32-30(39)31-22-5-3-21(4-6-22)27-33-28(37-14-16-40-17-15-37)35-29(34-27)38-24-9-10-25(38)20-41-19-24/h3-8,11-12,24-25H,9-10,13-20H2,1-2H3,(H2,31,32,39) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327420
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C26H29N7O3/c34-26(27-19-4-2-1-3-5-19)28-20-8-6-18(7-9-20)23-29-24(32-12-14-35-15-13-32)31-25(30-23)33-21-10-11-22(33)17-36-16-21/h1-9,21-22H,10-17H2,(H2,27,28,34) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327423
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C27H28N8O3/c28-15-18-1-5-20(6-2-18)29-27(36)30-21-7-3-19(4-8-21)24-31-25(34-11-13-37-14-12-34)33-26(32-24)35-22-9-10-23(35)17-38-16-22/h1-8,22-23H,9-14,16-17H2,(H2,29,30,36) | 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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327433
(1-(2,3'-bipyridin-5-yl)-3-(4-(4-(3-oxa-8-azabicycl...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C30H31N9O3/c40-30(34-23-7-10-26(32-17-23)21-2-1-11-31-16-21)33-22-5-3-20(4-6-22)27-35-28(38-12-14-41-15-13-38)37-29(36-27)39-24-8-9-25(39)19-42-18-24/h1-7,10-11,16-17,24-25H,8-9,12-15,18-19H2,(H2,33,34,40) | 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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327427
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H34N8O3/c1-34(2)22-9-7-21(8-10-22)30-28(37)29-20-5-3-19(4-6-20)25-31-26(35-13-15-38-16-14-35)33-27(32-25)36-23-11-12-24(36)18-39-17-23/h3-10,23-24H,11-18H2,1-2H3,(H2,29,30,37) | 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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327436
(1-(4-(4-((6S)-6-hydroxy-3-oxa-8-azabicyclo[3.2.1]o...)Show SMILES O[C@H]1CC2COCC1N2c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 |r,TLB:0:1:8:5.4.6| Show InChI InChI=1S/C25H28N8O4/c34-21-13-19-14-37-15-20(21)33(19)24-30-22(29-23(31-24)32-9-11-36-12-10-32)16-1-3-17(4-2-16)27-25(35)28-18-5-7-26-8-6-18/h1-8,19-21,34H,9-15H2,(H2,26,27,28,35)/t19?,20?,21-/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327425
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H31N7O4/c35-15-18-1-5-20(6-2-18)28-27(36)29-21-7-3-19(4-8-21)24-30-25(33-11-13-37-14-12-33)32-26(31-24)34-22-9-10-23(34)17-38-16-22/h1-8,22-23,35H,9-17H2,(H2,28,29,36) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | 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
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327429
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C30H38N8O4/c1-36(2)13-18-42-26-11-7-23(8-12-26)32-30(39)31-22-5-3-21(4-6-22)27-33-28(37-14-16-40-17-15-37)35-29(34-27)38-24-9-10-25(38)20-41-19-24/h3-8,11-12,24-25H,9-10,13-20H2,1-2H3,(H2,31,32,39) | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327426
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H33N7O4/c36-14-11-19-1-5-21(6-2-19)29-28(37)30-22-7-3-20(4-8-22)25-31-26(34-12-15-38-16-13-34)33-27(32-25)35-23-9-10-24(35)18-39-17-23/h1-8,23-24,36H,9-18H2,(H2,29,30,37) | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327424
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1OC Show InChI InChI=1S/C28H33N7O5/c1-37-23-10-7-20(15-24(23)38-2)30-28(36)29-19-5-3-18(4-6-19)25-31-26(34-11-13-39-14-12-34)33-27(32-25)35-21-8-9-22(35)17-40-16-21/h3-7,10,15,21-22H,8-9,11-14,16-17H2,1-2H3,(H2,29,30,36) | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327427
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H34N8O3/c1-34(2)22-9-7-21(8-10-22)30-28(37)29-20-5-3-19(4-6-20)25-31-26(35-13-15-38-16-14-35)33-27(32-25)36-23-11-12-24(36)18-39-17-23/h3-10,23-24H,11-18H2,1-2H3,(H2,29,30,37) | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327431
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1cccnc1 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-2-1-9-26-14-19)27-18-5-3-17(4-6-18)22-29-23(32-10-12-35-13-11-32)31-24(30-22)33-20-7-8-21(33)16-36-15-20/h1-6,9,14,20-21H,7-8,10-13,15-16H2,(H2,27,28,34) | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327420
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C26H29N7O3/c34-26(27-19-4-2-1-3-5-19)28-20-8-6-18(7-9-20)23-29-24(32-12-14-35-15-13-32)31-25(30-23)33-21-10-11-22(33)17-36-16-21/h1-9,21-22H,10-17H2,(H2,27,28,34) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327428
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C31H39N9O3/c1-37-12-14-38(15-13-37)25-8-6-24(7-9-25)33-31(41)32-23-4-2-22(3-5-23)28-34-29(39-16-18-42-19-17-39)36-30(35-28)40-26-10-11-27(40)21-43-20-26/h2-9,26-27H,10-21H2,1H3,(H2,32,33,41) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327430
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3C4CCC3COC4)cc2)CC1 Show InChI InChI=1S/C32H41N9O3/c1-38-12-14-39(15-13-38)20-23-2-6-25(7-3-23)33-32(42)34-26-8-4-24(5-9-26)29-35-30(40-16-18-43-19-17-40)37-31(36-29)41-27-10-11-28(41)22-44-21-27/h2-9,27-28H,10-22H2,1H3,(H2,33,34,42) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327432
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Clc1cc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)ccn1 Show InChI InChI=1S/C25H27ClN8O3/c26-21-13-18(7-8-27-21)29-25(35)28-17-3-1-16(2-4-17)22-30-23(33-9-11-36-12-10-33)32-24(31-22)34-19-5-6-20(34)15-37-14-19/h1-4,7-8,13,19-20H,5-6,9-12,14-15H2,(H2,27,28,29,35) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | 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
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-beta |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327435
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1ccnnc1 Show InChI InChI=1S/C24H27N9O3/c34-24(28-18-7-8-25-26-13-18)27-17-3-1-16(2-4-17)21-29-22(32-9-11-35-12-10-32)31-23(30-21)33-19-5-6-20(33)15-36-14-19/h1-4,7-8,13,19-20H,5-6,9-12,14-15H2,(H2,25,27,28,34) | 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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327436
(1-(4-(4-((6S)-6-hydroxy-3-oxa-8-azabicyclo[3.2.1]o...)Show SMILES O[C@H]1CC2COCC1N2c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 |r,TLB:0:1:8:5.4.6| Show InChI InChI=1S/C25H28N8O4/c34-21-13-19-14-37-15-20(21)33(19)24-30-22(29-23(31-24)32-9-11-36-12-10-32)16-1-3-17(4-2-16)27-25(35)28-18-5-7-26-8-6-18/h1-8,19-21,34H,9-15H2,(H2,26,27,28,35)/t19?,20?,21-/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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327421
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C26H28FN7O3/c27-18-3-7-20(8-4-18)29-26(35)28-19-5-1-17(2-6-19)23-30-24(33-11-13-36-14-12-33)32-25(31-23)34-21-9-10-22(34)16-37-15-21/h1-8,21-22H,9-16H2,(H2,28,29,35) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327433
(1-(2,3'-bipyridin-5-yl)-3-(4-(4-(3-oxa-8-azabicycl...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C30H31N9O3/c40-30(34-23-7-10-26(32-17-23)21-2-1-11-31-16-21)33-22-5-3-20(4-6-22)27-35-28(38-12-14-41-15-13-38)37-29(36-27)39-24-8-9-25(39)19-42-18-24/h1-7,10-11,16-17,24-25H,8-9,12-15,18-19H2,(H2,33,34,40) | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327433
(1-(2,3'-bipyridin-5-yl)-3-(4-(4-(3-oxa-8-azabicycl...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C30H31N9O3/c40-30(34-23-7-10-26(32-17-23)21-2-1-11-31-16-21)33-22-5-3-20(4-6-22)27-35-28(38-12-14-41-15-13-38)37-29(36-27)39-24-8-9-25(39)19-42-18-24/h1-7,10-11,16-17,24-25H,8-9,12-15,18-19H2,(H2,33,34,40) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327428
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C31H39N9O3/c1-37-12-14-38(15-13-37)25-8-6-24(7-9-25)33-31(41)32-23-4-2-22(3-5-23)28-34-29(39-16-18-42-19-17-39)36-30(35-28)40-26-10-11-27(40)21-43-20-26/h2-9,26-27H,10-21H2,1H3,(H2,32,33,41) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327420
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C26H29N7O3/c34-26(27-19-4-2-1-3-5-19)28-20-8-6-18(7-9-20)23-29-24(32-12-14-35-15-13-32)31-25(30-23)33-21-10-11-22(33)17-36-16-21/h1-9,21-22H,10-17H2,(H2,27,28,34) | 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 | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327422
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H31N7O3/c1-18-2-6-20(7-3-18)28-27(35)29-21-8-4-19(5-9-21)24-30-25(33-12-14-36-15-13-33)32-26(31-24)34-22-10-11-23(34)17-37-16-22/h2-9,22-23H,10-17H2,1H3,(H2,28,29,35) | 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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | 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
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327426
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H33N7O4/c36-14-11-19-1-5-21(6-2-19)29-28(37)30-22-7-3-20(4-8-22)25-31-26(34-12-15-38-16-13-34)33-27(32-25)35-23-9-10-24(35)18-39-17-23/h1-8,23-24,36H,9-18H2,(H2,29,30,37) | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | 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
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-delta |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327434
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1cncnc1 Show InChI InChI=1S/C24H27N9O3/c34-24(28-18-11-25-15-26-12-18)27-17-3-1-16(2-4-17)21-29-22(32-7-9-35-10-8-32)31-23(30-21)33-19-5-6-20(33)14-36-13-19/h1-4,11-12,15,19-20H,5-10,13-14H2,(H2,27,28,34) | 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 | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50327423
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C27H28N8O3/c28-15-18-1-5-20(6-2-18)29-27(36)30-21-7-3-19(4-8-21)24-31-25(34-11-13-37-14-12-34)33-26(32-24)35-22-9-10-23(35)17-38-16-22/h1-8,22-23H,9-14,16-17H2,(H2,29,30,36) | 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 | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50327424
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1OC Show InChI InChI=1S/C28H33N7O5/c1-37-23-10-7-20(15-24(23)38-2)30-28(36)29-19-5-3-18(4-6-19)25-31-26(34-11-13-39-14-12-34)33-27(32-25)35-21-8-9-22(35)17-40-16-21/h3-7,10,15,21-22H,8-9,11-14,16-17H2,1-2H3,(H2,29,30,36) | 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 | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327425
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H31N7O4/c35-15-18-1-5-20(6-2-18)28-27(36)29-21-7-3-19(4-8-21)24-30-25(33-11-13-37-14-12-33)32-26(31-24)34-22-9-10-23(34)17-38-16-22/h1-8,22-23,35H,9-17H2,(H2,28,29,36) | 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 | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327432
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Clc1cc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)ccn1 Show InChI InChI=1S/C25H27ClN8O3/c26-21-13-18(7-8-27-21)29-25(35)28-17-3-1-16(2-4-17)22-30-23(33-9-11-36-12-10-33)32-24(31-22)34-19-5-6-20(34)15-37-14-19/h1-4,7-8,13,19-20H,5-6,9-12,14-15H2,(H2,27,28,29,35) | 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 | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327429
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C30H38N8O4/c1-36(2)13-18-42-26-11-7-23(8-12-26)32-30(39)31-22-5-3-21(4-6-22)27-33-28(37-14-16-40-17-15-37)35-29(34-27)38-24-9-10-25(38)20-41-19-24/h3-8,11-12,24-25H,9-10,13-20H2,1-2H3,(H2,31,32,39) | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327422
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H31N7O3/c1-18-2-6-20(7-3-18)28-27(35)29-21-8-4-19(5-9-21)24-30-25(33-12-14-36-15-13-33)32-26(31-24)34-22-10-11-23(34)17-37-16-22/h2-9,22-23H,10-17H2,1H3,(H2,28,29,35) | 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 | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327435
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1ccnnc1 Show InChI InChI=1S/C24H27N9O3/c34-24(28-18-7-8-25-26-13-18)27-17-3-1-16(2-4-17)21-29-22(32-9-11-35-12-10-32)31-23(30-21)33-19-5-6-20(33)15-36-14-19/h1-4,7-8,13,19-20H,5-6,9-12,14-15H2,(H2,25,27,28,34) | 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 | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327431
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1cccnc1 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-2-1-9-26-14-19)27-18-5-3-17(4-6-18)22-29-23(32-10-12-35-13-11-32)31-24(30-22)33-20-7-8-21(33)16-36-15-20/h1-6,9,14,20-21H,7-8,10-13,15-16H2,(H2,27,28,34) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327421
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C26H28FN7O3/c27-18-3-7-20(8-4-18)29-26(35)28-19-5-1-17(2-6-19)23-30-24(33-11-13-36-14-12-33)32-25(31-23)34-21-9-10-22(34)16-37-15-21/h1-8,21-22H,9-16H2,(H2,28,29,35) | 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 | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327430
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3C4CCC3COC4)cc2)CC1 Show InChI InChI=1S/C32H41N9O3/c1-38-12-14-39(15-13-38)20-23-2-6-25(7-3-23)33-32(42)34-26-8-4-24(5-9-26)29-35-30(40-16-18-43-19-17-40)37-31(36-29)41-27-10-11-28(41)22-44-21-27/h2-9,27-28H,10-22H2,1H3,(H2,33,34,42) | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327434
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1cncnc1 Show InChI InChI=1S/C24H27N9O3/c34-24(28-18-11-25-15-26-12-18)27-17-3-1-16(2-4-17)21-29-22(32-7-9-35-10-8-32)31-23(30-21)33-19-5-6-20(33)14-36-13-19/h1-4,11-12,15,19-20H,5-10,13-14H2,(H2,27,28,34) | 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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327423
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C27H28N8O3/c28-15-18-1-5-20(6-2-18)29-27(36)30-21-7-3-19(4-8-21)24-31-25(34-11-13-37-14-12-34)33-26(32-24)35-22-9-10-23(35)17-38-16-22/h1-8,22-23H,9-14,16-17H2,(H2,29,30,36) | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327424
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1OC Show InChI InChI=1S/C28H33N7O5/c1-37-23-10-7-20(15-24(23)38-2)30-28(36)29-19-5-3-18(4-6-19)25-31-26(34-11-13-39-14-12-34)33-27(32-25)35-21-8-9-22(35)17-40-16-21/h3-7,10,15,21-22H,8-9,11-14,16-17H2,1-2H3,(H2,29,30,36) | 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 | 358 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50327427
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H34N8O3/c1-34(2)22-9-7-21(8-10-22)30-28(37)29-20-5-3-19(4-6-20)25-31-26(35-13-15-38-16-14-35)33-27(32-25)36-23-11-12-24(36)18-39-17-23/h3-10,23-24H,11-18H2,1-2H3,(H2,29,30,37) | 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 | 717 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | PDB
KEGG
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2A6 |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | PDB
KEGG
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antibodypedia
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CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50327419
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 5869-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V |
More data for this
Ligand-Target Pair | |
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