Found 464 hits with Last Name = 'bantscheff' and Initial = 'm' 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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506311
(CHEMBL4462123)Show SMILES COc1ncc(cc1NS(=O)(=O)CC#N)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C26H34N4O6S/c1-26(2,31)21-4-7-30(8-5-21)9-10-36-24-14-18(12-20-16-35-17-22(20)24)19-13-23(25(34-3)28-15-19)29-37(32,33)11-6-27/h12-15,21,29,31H,4-5,7-11,16-17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50506332
(CHEMBL4561242)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506329
(CHEMBL4518946)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r| Show InChI InChI=1S/C24H33N3O7S/c1-24(2,28)15-27-5-6-33-19(11-27)13-34-22-9-16(7-18-12-32-14-20(18)22)17-8-21(26-35(4,29)30)23(31-3)25-10-17/h7-10,19,26,28H,5-6,11-15H2,1-4H3/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506329
(CHEMBL4518946)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r| Show InChI InChI=1S/C24H33N3O7S/c1-24(2,28)15-27-5-6-33-19(11-27)13-34-22-9-16(7-18-12-32-14-20(18)22)17-8-21(26-35(4,29)30)23(31-3)25-10-17/h7-10,19,26,28H,5-6,11-15H2,1-4H3/t19-/m1/s1 | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238434
(CHEMBL4098952)Show SMILES O=C(N1CCN(CC1)c1ccncn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-23(32-13-11-31(12-14-32)20-9-10-24-15-25-20)16-5-7-17(8-6-16)26-21-22-28-29-30-33(22)19-4-2-1-3-18(19)27-21/h1-10,15H,11-14H2,(H,26,27) | PDB
UniProtKB/SwissProt
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 |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238419
(CHEMBL4060134)Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506325
(CHEMBL4567736)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2[C@@H](C)OCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C26H37N3O6S/c1-17-21-12-18(19-13-23(28-36(5,31)32)25(33-4)27-15-19)14-24(22(21)16-35-17)34-11-10-29-8-6-20(7-9-29)26(2,3)30/h12-15,17,20,28,30H,6-11,16H2,1-5H3/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132G]
(Homo sapiens (Human)) | BDBM195601
(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | 25 |
Albert Einstein College of Medicine
| Assay Description RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates... |
Nat Chem Biol 11: 878-86 (2015)
Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50506327
(CHEMBL4449047)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506327
(CHEMBL4449047)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m1/s1 | 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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506346
(CHEMBL4436659)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2CCC2)c1 |r| Show InChI InChI=1S/C26H35N3O7S/c1-32-8-9-37(30,31)28-24-11-19(13-27-26(24)33-2)18-10-20-15-34-17-23(20)25(12-18)36-16-22-14-29(6-7-35-22)21-4-3-5-21/h10-13,21-22,28H,3-9,14-17H2,1-2H3/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506328
(CHEMBL4447804)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(O[C@@H](C)CN2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(16-31-8-6-23(7-9-31)28(2,3)32)38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m0/s1 | 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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506333
(CHEMBL4553962)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r| Show InChI InChI=1S/C26H37N3O8S/c1-26(2,30)17-29-5-6-36-21(13-29)15-37-24-11-18(9-20-14-35-16-22(20)24)19-10-23(25(34-4)27-12-19)28-38(31,32)8-7-33-3/h9-12,21,28,30H,5-8,13-17H2,1-4H3/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506320
(CHEMBL4436797)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C23H29N3O7S/c1-29-23-21(25-34(2,27)28)6-16(8-24-23)15-5-17-10-30-14-20(17)22(7-15)33-13-19-9-26(3-4-32-19)18-11-31-12-18/h5-8,18-19,25H,3-4,9-14H2,1-2H3/t19-/m1/s1 | 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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM195601
(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | 25 |
Albert Einstein College of Medicine
| Assay Description RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates... |
Nat Chem Biol 11: 878-86 (2015)
Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506320
(CHEMBL4436797)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C23H29N3O7S/c1-29-23-21(25-34(2,27)28)6-16(8-24-23)15-5-17-10-30-14-20(17)22(7-15)33-13-19-9-26(3-4-32-19)18-11-31-12-18/h5-8,18-19,25H,3-4,9-14H2,1-2H3/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506323
(CHEMBL4556087)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C25H35N3O6S/c1-25(2,29)20-5-7-28(8-6-20)9-10-34-23-13-17(11-19-15-33-16-21(19)23)18-12-22(27-35(4,30)31)24(32-3)26-14-18/h11-14,20,27,29H,5-10,15-16H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506331
(CHEMBL4466265)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C26H37N3O6S/c1-26(2,30)21-5-8-29(9-6-21)10-12-35-24-15-18(13-20-17-34-11-7-22(20)24)19-14-23(28-36(4,31)32)25(33-3)27-16-19/h13-16,21,28,30H,5-12,17H2,1-4H3 | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238417
(CHEMBL4094551)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1c[nH]cn1 Show InChI InChI=1S/C23H20N10O2/c34-22(31-9-11-32(12-10-31)23(35)18-13-24-14-25-18)15-5-7-16(8-6-15)26-20-21-28-29-30-33(21)19-4-2-1-3-17(19)27-20/h1-8,13-14H,9-12H2,(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
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 |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM195601
(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | 25 |
Albert Einstein College of Medicine
| Assay Description RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates... |
Nat Chem Biol 11: 878-86 (2015)
Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506338
(CHEMBL4533741)Show SMILES COCCN1CCO[C@@H](COc2cc(cc3COCc23)-c2cnc(OC)c(NS(C)(=O)=O)c2)C1 |r| Show InChI InChI=1S/C23H31N3O7S/c1-29-6-4-26-5-7-32-19(12-26)14-33-22-10-16(8-18-13-31-15-20(18)22)17-9-21(25-34(3,27)28)23(30-2)24-11-17/h8-11,19,25H,4-7,12-15H2,1-3H3/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506315
(CHEMBL4579923)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506332
(CHEMBL4561242)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m0/s1 | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238433
(CHEMBL4080918)Show SMILES O=C(N1CCN(CC1)c1ccncc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H21N9O/c34-24(32-15-13-31(14-16-32)19-9-11-25-12-10-19)17-5-7-18(8-6-17)26-22-23-28-29-30-33(23)21-4-2-1-3-20(21)27-22/h1-12H,13-16H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506315
(CHEMBL4579923)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238434
(CHEMBL4098952)Show SMILES O=C(N1CCN(CC1)c1ccncn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-23(32-13-11-31(12-14-32)20-9-10-24-15-25-20)16-5-7-17(8-6-16)26-21-22-28-29-30-33(22)19-4-2-1-3-18(19)27-21/h1-10,15H,11-14H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238416
(CHEMBL4087470)Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-22(31-12-14-32(15-13-31)23-24-10-3-11-25-23)16-6-8-17(9-7-16)26-20-21-28-29-30-33(21)19-5-2-1-4-18(19)27-20/h1-11H,12-15H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506331
(CHEMBL4466265)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C26H37N3O6S/c1-26(2,30)21-5-8-29(9-6-21)10-12-35-24-15-18(13-20-17-34-11-7-22(20)24)19-14-23(28-36(4,31)32)25(33-3)27-16-19/h13-16,21,28,30H,5-12,17H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506326
(CHEMBL4538635)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C27H39N3O7S/c1-27(2,31)22-5-7-30(8-6-22)9-10-37-25-15-19(13-21-17-36-18-23(21)25)20-14-24(26(35-4)28-16-20)29-38(32,33)12-11-34-3/h13-16,22,29,31H,5-12,17-18H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506325
(CHEMBL4567736)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2[C@@H](C)OCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C26H37N3O6S/c1-17-21-12-18(19-13-23(28-36(5,31)32)25(33-4)27-15-19)14-24(22(21)16-35-17)34-11-10-29-8-6-20(7-9-29)26(2,3)30/h12-15,17,20,28,30H,6-11,16H2,1-5H3/t17-/m1/s1 | 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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human whole blood assessed as reduction in cytostim-stimulated IFNgamma production preincubated for 1 hr followed by cytos... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238448
(CHEMBL4083872)Show InChI InChI=1S/C18H15N7O/c26-16-6-3-11-24(16)13-9-7-12(8-10-13)19-17-18-21-22-23-25(18)15-5-2-1-4-14(15)20-17/h1-2,4-5,7-10H,3,6,11H2,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506330
(CHEMBL4580593)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C(C)C)c1 |r| Show InChI InChI=1S/C25H35N3O7S/c1-17(2)28-5-6-34-21(13-28)15-35-24-11-18(9-20-14-33-16-22(20)24)19-10-23(25(32-4)26-12-19)27-36(29,30)8-7-31-3/h9-12,17,21,27H,5-8,13-16H2,1-4H3/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238418
(CHEMBL4096094)Show SMILES Cn1ccc(n1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H22N10O2/c1-31-11-10-19(28-31)24(36)33-14-12-32(13-15-33)23(35)16-6-8-17(9-7-16)25-21-22-27-29-30-34(22)20-5-3-2-4-18(20)26-21/h2-11H,12-15H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238449
(CHEMBL4089774)Show InChI InChI=1S/C18H15N7O2/c26-16-11-27-10-9-24(16)13-7-5-12(6-8-13)19-17-18-21-22-23-25(18)15-4-2-1-3-14(15)20-17/h1-8H,9-11H2,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506312
(CHEMBL4519361)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(C)CCO2)c1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-24-4-5-29-17(10-24)12-30-20-8-14(6-16-11-28-13-18(16)20)15-7-19(23-31(3,25)26)21(27-2)22-9-15/h6-9,17,23H,4-5,10-13H2,1-3H3/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238447
(CHEMBL4101869)Show InChI InChI=1S/C17H15N7O/c1-11(25)23(2)13-9-7-12(8-10-13)18-16-17-20-21-22-24(17)15-6-4-3-5-14(15)19-16/h3-10H,1-2H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity against calf intestine adenosine deaminase enzyme |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238437
(CHEMBL4068794)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1cc[nH]n1 Show InChI InChI=1S/C23H20N10O2/c34-22(31-11-13-32(14-12-31)23(35)18-9-10-24-27-18)15-5-7-16(8-6-15)25-20-21-28-29-30-33(21)19-4-2-1-3-17(19)26-20/h1-10H,11-14H2,(H,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506310
(CHEMBL4453668)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C23H31N3O6S/c1-15-11-26(12-16(2)32-15)5-6-31-22-9-17(7-19-13-30-14-20(19)22)18-8-21(25-33(4,27)28)23(29-3)24-10-18/h7-10,15-16,25H,5-6,11-14H2,1-4H3/t15-,16+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506318
(CHEMBL4444082)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCC2CCCN(C)C2)c1 Show InChI InChI=1S/C22H29N3O5S/c1-25-6-4-5-15(11-25)12-30-21-9-16(7-18-13-29-14-19(18)21)17-8-20(24-31(3,26)27)22(28-2)23-10-17/h7-10,15,24H,4-6,11-14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50506329
(CHEMBL4518946)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r| Show InChI InChI=1S/C24H33N3O7S/c1-24(2,28)15-27-5-6-33-19(11-27)13-34-22-9-16(7-18-12-32-14-20(18)22)17-8-21(26-35(4,29)30)23(31-3)25-10-17/h7-10,19,26,28H,5-6,11-15H2,1-4H3/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506327
(CHEMBL4449047)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238436
(CHEMBL4079594)Show SMILES O=C(N1CCN(CC1)C(=O)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H20N10O2/c35-23(32-12-14-33(15-13-32)24(36)21-25-10-3-11-26-21)16-6-8-17(9-7-16)27-20-22-29-30-31-34(22)19-5-2-1-4-18(19)28-20/h1-11H,12-15H2,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238416
(CHEMBL4087470)Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-22(31-12-14-32(15-13-31)23-24-10-3-11-25-23)16-6-8-17(9-7-16)26-20-21-28-29-30-33(21)19-5-2-1-4-18(19)27-20/h1-11H,12-15H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged TNKS1 (1091 to 1325 residues) (unknown origin) assessed as reduction in PARsylation of GST-tev-Axin2 preincubated for 30 min... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238422
(CHEMBL4098529)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C21H20N8O2/c1-14(30)27-10-12-28(13-11-27)21(31)15-6-8-16(9-7-15)22-19-20-24-25-26-29(20)18-5-3-2-4-17(18)23-19/h2-9H,10-13H2,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506342
(CHEMBL4448491)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506345
(CHEMBL4472036)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)n1 Show InChI InChI=1S/C24H34N4O6S/c1-24(2,29)18-5-7-28(8-6-18)9-10-34-22-19-15-33-14-17(19)12-20(26-22)16-11-21(27-35(4,30)31)23(32-3)25-13-16/h11-13,18,27,29H,5-10,14-15H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506318
(CHEMBL4444082)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCC2CCCN(C)C2)c1 Show InChI InChI=1S/C22H29N3O5S/c1-25-6-4-5-15(11-25)12-30-21-9-16(7-18-13-29-14-19(18)21)17-8-20(24-31(3,26)27)22(28-2)23-10-17/h7-10,15,24H,4-6,11-14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus... |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238416
(CHEMBL4087470)Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-22(31-12-14-32(15-13-31)23-24-10-3-11-25-23)16-6-8-17(9-7-16)26-20-21-28-29-30-33(21)19-5-2-1-4-18(19)27-20/h1-11H,12-15H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238446
(CHEMBL4073498)Show InChI InChI=1S/C16H13N7O/c1-10(24)17-11-6-8-12(9-7-11)18-15-16-20-21-22-23(16)14-5-3-2-4-13(14)19-15/h2-9H,1H3,(H,17,24)(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238427
(CHEMBL4066552)Show SMILES COCCN(C)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C19H19N7O2/c1-25(11-12-28-2)19(27)13-7-9-14(10-8-13)20-17-18-22-23-24-26(18)16-6-4-3-5-15(16)21-17/h3-10H,11-12H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this Ligand-Target Pair | |