Found 25 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)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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 |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50018265
(CHEMBL3290293)Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1 Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50018267
(CHEMBL3290305)Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50018268
(CHEMBL3290307)Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-beta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50018268
(CHEMBL3290307)Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50018265
(CHEMBL3290293)Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1 Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50018267
(CHEMBL3290305)Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 468 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50018268
(CHEMBL3290307)Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50018267
(CHEMBL3290305)Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50018265
(CHEMBL3290293)Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1 Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50018265
(CHEMBL3290293)Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1 Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50018266
(CHEMBL3290300)Show SMILES Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O Show InChI InChI=1S/C21H18N4O/c1-21(2,13-22)14-8-10-15(11-9-14)25-19-16-6-4-5-7-17(16)23-12-18(19)24(3)20(25)26/h4-12H,1-3H3 | 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 | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50018266
(CHEMBL3290300)Show SMILES Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O Show InChI InChI=1S/C21H18N4O/c1-21(2,13-22)14-8-10-15(11-9-14)25-19-16-6-4-5-7-17(16)23-12-18(19)24(3)20(25)26/h4-12H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50018267
(CHEMBL3290305)Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50018268
(CHEMBL3290307)Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50018266
(CHEMBL3290300)Show SMILES Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O Show InChI InChI=1S/C21H18N4O/c1-21(2,13-22)14-8-10-15(11-9-14)25-19-16-6-4-5-7-17(16)23-12-18(19)24(3)20(25)26/h4-12H,1-3H3 | 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 | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50018268
(CHEMBL3290307)Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-beta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50018265
(CHEMBL3290293)Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1 Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-beta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50018266
(CHEMBL3290300)Show SMILES Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O Show InChI InChI=1S/C21H18N4O/c1-21(2,13-22)14-8-10-15(11-9-14)25-19-16-6-4-5-7-17(16)23-12-18(19)24(3)20(25)26/h4-12H,1-3H3 | 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 | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50018266
(CHEMBL3290300)Show SMILES Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O Show InChI InChI=1S/C21H18N4O/c1-21(2,13-22)14-8-10-15(11-9-14)25-19-16-6-4-5-7-17(16)23-12-18(19)24(3)20(25)26/h4-12H,1-3H3 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-beta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50018267
(CHEMBL3290305)Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K-beta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis |
J Med Chem 57: 4834-48 (2014)
Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T |
More data for this
Ligand-Target Pair | |
Search and Browse
