Found 11 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499395
(CHEMBL3735840)Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C26H31N9O2/c1-32-8-10-33(11-9-32)24(36)18-2-4-20(5-3-18)35-7-6-21-22(19-16-28-25(27)29-17-19)30-26(31-23(21)35)34-12-14-37-15-13-34/h2-5,16-17H,6-15H2,1H3,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499397
(CHEMBL3734954)Show SMILES CN1CCN(CC1)C(=O)c1ccc(cn1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H30N10O2/c1-32-6-8-33(9-7-32)23(36)20-3-2-18(16-27-20)35-5-4-19-21(17-14-28-24(26)29-15-17)30-25(31-22(19)35)34-10-12-37-13-11-34/h2-3,14-16H,4-13H2,1H3,(H2,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499396
(CHEMBL3736189)Show SMILES CN1CCN(CC1)C(=O)c1cncc(c1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H30N10O2/c1-32-4-6-33(7-5-32)23(36)17-12-19(16-27-13-17)35-3-2-20-21(18-14-28-24(26)29-15-18)30-25(31-22(20)35)34-8-10-37-11-9-34/h12-16H,2-11H2,1H3,(H2,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338199
(5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-...)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499390
(CHEMBL3736165)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C20H21N7O/c21-19-22-12-14(13-23-19)17-16-6-7-27(15-4-2-1-3-5-15)18(16)25-20(24-17)26-8-10-28-11-9-26/h1-5,12-13H,6-11H2,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499394
(CHEMBL3736509)Show SMILES CN1CCN(CC1)C(=O)c1cc(ccn1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H30N10O2/c1-32-6-8-33(9-7-32)23(36)20-14-18(2-4-27-20)35-5-3-19-21(17-15-28-24(26)29-16-17)30-25(31-22(19)35)34-10-12-37-13-11-34/h2,4,14-16H,3,5-13H2,1H3,(H2,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499389
(CHEMBL3736206)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccc(cc1F)C(=O)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C25H27FN8O3/c26-19-13-16(23(35)32-5-9-36-10-6-32)1-2-20(19)34-4-3-18-21(17-14-28-24(27)29-15-17)30-25(31-22(18)34)33-7-11-37-12-8-33/h1-2,13-15H,3-12H2,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499392
(CHEMBL3736186)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccc(CN2CCOCC2)cc1)N1CCOCC1 Show InChI InChI=1S/C25H30N8O2/c26-24-27-15-19(16-28-24)22-21-5-6-33(23(21)30-25(29-22)32-9-13-35-14-10-32)20-3-1-18(2-4-20)17-31-7-11-34-12-8-31/h1-4,15-16H,5-14,17H2,(H2,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499393
(CHEMBL3735088)Show SMILES CN1CCN(Cc2ccc(cc2)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C26H33N9O/c1-32-8-10-33(11-9-32)18-19-2-4-21(5-3-19)35-7-6-22-23(20-16-28-25(27)29-17-20)30-26(31-24(22)35)34-12-14-36-15-13-34/h2-5,16-17H,6-15,18H2,1H3,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499391
(CHEMBL3735567)Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C26H31N9O2/c1-32-7-9-33(10-8-32)24(36)18-3-2-4-20(15-18)35-6-5-21-22(19-16-28-25(27)29-17-19)30-26(31-23(21)35)34-11-13-37-14-12-34/h2-4,15-17H,5-14H2,1H3,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499388
(CHEMBL3736010)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccc(CN2CCOCC2)cc1F)N1CCOCC1 Show InChI InChI=1S/C25H29FN8O2/c26-20-13-17(16-32-5-9-35-10-6-32)1-2-21(20)34-4-3-19-22(18-14-28-24(27)29-15-18)30-25(31-23(19)34)33-7-11-36-12-8-33/h1-2,13-15H,3-12,16H2,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Search and Browse
