Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50048085 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)) | BDBM50204093
(BAY 80-6946 | BAY-80-6946 | Copanlisib)Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204093
(BAY 80-6946 | BAY-80-6946 | Copanlisib)Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204093
(BAY 80-6946 | BAY-80-6946 | Copanlisib)Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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MCE 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 |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha/p85 iSH2 domain (unknown origin) expressed in baculovirus using l-alpha-phosphatidylinositol as substrate after 60 mins by ki... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 120 mins by... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204093
(BAY 80-6946 | BAY-80-6946 | Copanlisib)Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 120 mins by... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204104
(CHEMBL3979323)Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m0/s1 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by ap... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM119531
(US11547697, Compound 529 | US9682141, 529 | US9682...)Show SMILES Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1 Show InChI InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of mTOR (unknown origin) expressed in baculovirus after 60 mins by kinase-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
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 | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 60 mins by k... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204104
(CHEMBL3979323)Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m0/s1 | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by a... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204097
(CHEMBL3919405)Show SMILES Oc1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C22H16N4O/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(27)12-16/h1-9,12-14,27H,10H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204094
(CHEMBL3974237)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2cncc3ccccc23)cc1 Show InChI InChI=1S/C25H17N5/c26-12-11-17-5-8-20(9-6-17)30-25-22-13-18(7-10-24(22)28-16-29-25)23-15-27-14-19-3-1-2-4-21(19)23/h1-10,13-16H,11H2,(H,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG 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 |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204100
(CHEMBL3890572)Show SMILES CC(=O)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4O/c1-16(29)18-4-6-19(7-5-18)20-8-11-23-22(14-20)24(27-15-26-23)28-21-9-2-17(3-10-21)12-13-25/h2-11,14-15H,12H2,1H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG 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 |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204092
(CHEMBL3978826)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C23H16N4O2/c24-10-9-15-1-5-18(6-2-15)27-23-19-11-16(3-7-20(19)25-13-26-23)17-4-8-21-22(12-17)29-14-28-21/h1-8,11-13H,9,14H2,(H,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204102
(CHEMBL3962279)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C24H17N5/c25-11-9-16-1-5-20(6-2-16)29-24-21-14-18(4-8-23(21)27-15-28-24)17-3-7-22-19(13-17)10-12-26-22/h1-8,10,12-15,26H,9H2,(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204100
(CHEMBL3890572)Show SMILES CC(=O)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4O/c1-16(29)18-4-6-19(7-5-18)20-8-11-23-22(14-20)24(27-15-26-23)28-21-9-2-17(3-10-21)12-13-25/h2-11,14-15H,12H2,1H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204097
(CHEMBL3919405)Show SMILES Oc1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C22H16N4O/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(27)12-16/h1-9,12-14,27H,10H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204092
(CHEMBL3978826)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C23H16N4O2/c24-10-9-15-1-5-18(6-2-15)27-23-19-11-16(3-7-20(19)25-13-26-23)17-4-8-21-22(12-17)29-14-28-21/h1-8,11-13H,9,14H2,(H,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 321 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204095
(CHEMBL3899361)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 342 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204099
(CHEMBL3953521)Show InChI InChI=1S/C21H15N5/c22-10-7-15-1-4-18(5-2-15)26-21-19-13-17(16-8-11-23-12-9-16)3-6-20(19)24-14-25-21/h1-6,8-9,11-14H,7H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204096
(CHEMBL3894691)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C22H15N5O2/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(12-16)27(28)29/h1-9,12-14H,10H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 451 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204103
(CHEMBL3937311)Show InChI InChI=1S/C22H16N4/c23-13-12-16-6-9-19(10-7-16)26-22-20-14-18(17-4-2-1-3-5-17)8-11-21(20)24-15-25-22/h1-11,14-15H,12H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 475 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204101
(CHEMBL3942049)Show SMILES C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4/c1-2-17-3-7-19(8-4-17)20-9-12-23-22(15-20)24(27-16-26-23)28-21-10-5-18(6-11-21)13-14-25/h2-12,15-16H,1,13H2,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204097
(CHEMBL3919405)Show SMILES Oc1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C22H16N4O/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(27)12-16/h1-9,12-14,27H,10H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204099
(CHEMBL3953521)Show InChI InChI=1S/C21H15N5/c22-10-7-15-1-4-18(5-2-15)26-21-19-13-17(16-8-11-23-12-9-16)3-6-20(19)24-14-25-21/h1-6,8-9,11-14H,7H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 704 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204102
(CHEMBL3962279)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C24H17N5/c25-11-9-16-1-5-20(6-2-16)29-24-21-14-18(4-8-23(21)27-15-28-24)17-3-7-22-19(13-17)10-12-26-22/h1-8,10,12-15,26H,9H2,(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204096
(CHEMBL3894691)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C22H15N5O2/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(12-16)27(28)29/h1-9,12-14H,10H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204104
(CHEMBL3979323)Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m0/s1 | 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 | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PI3Kgamma using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by a... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204094
(CHEMBL3974237)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2cncc3ccccc23)cc1 Show InChI InChI=1S/C25H17N5/c26-12-11-17-5-8-20(9-6-17)30-25-22-13-18(7-10-24(22)28-16-29-25)23-15-27-14-19-3-1-2-4-21(19)23/h1-10,13-16H,11H2,(H,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204104
(CHEMBL3979323)Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m0/s1 | 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 | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PI3Kdelta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by a... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204095
(CHEMBL3899361)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204097
(CHEMBL3919405)Show SMILES Oc1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C22H16N4O/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(27)12-16/h1-9,12-14,27H,10H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM119531
(US11547697, Compound 529 | US9682141, 529 | US9682...)Show SMILES Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1 Show InChI InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM119531
(US11547697, Compound 529 | US9682141, 529 | US9682...)Show SMILES Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1 Show InChI InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204103
(CHEMBL3937311)Show InChI InChI=1S/C22H16N4/c23-13-12-16-6-9-19(10-7-16)26-22-20-14-18(17-4-2-1-3-5-17)8-11-21(20)24-15-25-22/h1-11,14-15H,12H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204094
(CHEMBL3974237)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2cncc3ccccc23)cc1 Show InChI InChI=1S/C25H17N5/c26-12-11-17-5-8-20(9-6-17)30-25-22-13-18(7-10-24(22)28-16-29-25)23-15-27-14-19-3-1-2-4-21(19)23/h1-10,13-16H,11H2,(H,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204101
(CHEMBL3942049)Show SMILES C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4/c1-2-17-3-7-19(8-4-17)20-9-12-23-22(15-20)24(27-16-26-23)28-21-10-5-18(6-11-21)13-14-25/h2-12,15-16H,1,13H2,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204100
(CHEMBL3890572)Show SMILES CC(=O)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4O/c1-16(29)18-4-6-19(7-5-18)20-8-11-23-22(14-20)24(27-15-26-23)28-21-9-2-17(3-10-21)12-13-25/h2-11,14-15H,12H2,1H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204101
(CHEMBL3942049)Show SMILES C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4/c1-2-17-3-7-19(8-4-17)20-9-12-23-22(15-20)24(27-16-26-23)28-21-10-5-18(6-11-21)13-14-25/h2-12,15-16H,1,13H2,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204095
(CHEMBL3899361)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204096
(CHEMBL3894691)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C22H15N5O2/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(12-16)27(28)29/h1-9,12-14H,10H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204099
(CHEMBL3953521)Show InChI InChI=1S/C21H15N5/c22-10-7-15-1-4-18(5-2-15)26-21-19-13-17(16-8-11-23-12-9-16)3-6-20(19)24-14-25-21/h1-6,8-9,11-14H,7H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204100
(CHEMBL3890572)Show SMILES CC(=O)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C24H18N4O/c1-16(29)18-4-6-19(7-5-18)20-8-11-23-22(14-20)24(27-15-26-23)28-21-9-2-17(3-10-21)12-13-25/h2-11,14-15H,12H2,1H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204103
(CHEMBL3937311)Show InChI InChI=1S/C22H16N4/c23-13-12-16-6-9-19(10-7-16)26-22-20-14-18(17-4-2-1-3-5-17)8-11-21(20)24-15-25-22/h1-11,14-15H,12H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204096
(CHEMBL3894691)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 Show InChI InChI=1S/C22H15N5O2/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(12-16)27(28)29/h1-9,12-14H,10H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204103
(CHEMBL3937311)Show InChI InChI=1S/C22H16N4/c23-13-12-16-6-9-19(10-7-16)26-22-20-14-18(17-4-2-1-3-5-17)8-11-21(20)24-15-25-22/h1-11,14-15H,12H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204099
(CHEMBL3953521)Show InChI InChI=1S/C21H15N5/c22-10-7-15-1-4-18(5-2-15)26-21-19-13-17(16-8-11-23-12-9-16)3-6-20(19)24-14-25-21/h1-6,8-9,11-14H,7H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204095
(CHEMBL3899361)Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |