Found 452 hits with Last Name = 'bravo' 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 |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50323914
(CHEMBL1213786 | Tamoxifen butyl bromide)Show SMILES CCCC[N+](C)(C)CCOc1ccc(cc1)C(=C(\CC)c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C30H38NO/c1-5-7-22-31(3,4)23-24-32-28-20-18-27(19-21-28)30(26-16-12-9-13-17-26)29(6-2)25-14-10-8-11-15-25/h8-21H,5-7,22-24H2,1-4H3/q+1/b30-29- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50323912
(CHEMBL1213784 | Tamoxifen ethyl bromide)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)CC)cc1)c1ccccc1 Show InChI InChI=1S/C28H34NO/c1-5-27(23-13-9-7-10-14-23)28(24-15-11-8-12-16-24)25-17-19-26(20-18-25)30-22-21-29(3,4)6-2/h7-20H,5-6,21-22H2,1-4H3/q+1/b28-27- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50323913
(CHEMBL1213785 | Tamoxifen isopropyl bromide)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)C(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C29H36NO/c1-6-28(24-13-9-7-10-14-24)29(25-15-11-8-12-16-25)26-17-19-27(20-18-26)31-22-21-30(4,5)23(2)3/h7-20,23H,6,21-22H2,1-5H3/q+1/b29-28- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM20607
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 31.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50323911
(CHEMBL1213783 | Tamoxifen methyl iodide)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C27H32NO/c1-5-26(22-12-8-6-9-13-22)27(23-14-10-7-11-15-23)24-16-18-25(19-17-24)29-21-20-28(2,3)4/h6-19H,5,20-21H2,1-4H3/q+1/b27-26- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Politécnico Nacional 2508
Curated by ChEMBL
| Assay Description Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting |
Bioorg Med Chem 18: 5593-601 (2010)
Article DOI: 10.1016/j.bmc.2010.06.039 BindingDB Entry DOI: 10.7270/Q2NG4QT9 |
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)) | BDBM50450679
(CHEMBL4164652)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cnn(C)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C25H23N9O/c1-15-9-10-33-21(15)25(35)34(18-7-5-4-6-8-18)24(31-33)16(2)30-23-20-19(17-11-29-32(3)13-17)12-26-22(20)27-14-28-23/h4-14,16H,1-3H3,(H2,26,27,28,30)/t16-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450687
(CHEMBL4164818)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(Cl)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C25H22ClN7O2/c1-14-8-9-32-21(14)25(35)33(18-6-4-3-5-7-18)24(31-32)15(2)30-23-20(22(27)28-13-29-23)16-10-17(26)12-19(34)11-16/h3-13,15,34H,1-2H3,(H3,27,28,29,30)/t15-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450675
(CHEMBL4166977)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H26N8O4S/c1-16-9-10-35-24(16)28(38)36(20-7-5-4-6-8-20)27(33-35)17(2)32-26-23-22(14-29-25(23)30-15-31-26)18-11-19(13-21(37)12-18)34-41(3,39)40/h4-15,17,34,37H,1-3H3,(H2,29,30,31,32)/t17-/m0/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450688
(CHEMBL4168086)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H24N8O/c1-17-12-14-36-25(17)29(38)37(19-7-4-3-5-8-19)28(35-36)18(2)34-27-24-22(15-31-26(24)32-16-33-27)20-9-6-10-23-21(20)11-13-30-23/h3-16,18,30H,1-2H3,(H2,31,32,33,34)/t18-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM236931
(US9388189, 27)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C27H22FN7O2/c1-15-8-9-34-23(15)27(37)35(19-6-4-3-5-7-19)26(33-34)16(2)32-25-22-21(13-29-24(22)30-14-31-25)17-10-18(28)12-20(36)11-17/h3-14,16,36H,1-2H3,(H2,29,30,31,32)/t16-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450693
(CHEMBL4164842)Show SMILES COc1cccc(-c2c[nH]c3ncnc(N[C@@H](C)c4nn5ccc(C)c5c(=O)n4-c4ccccc4)c23)c1O |r| Show InChI InChI=1S/C28H25N7O3/c1-16-12-13-34-23(16)28(37)35(18-8-5-4-6-9-18)27(33-34)17(2)32-26-22-20(14-29-25(22)30-15-31-26)19-10-7-11-21(38-3)24(19)36/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM236932
(US9388189, 28)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(c1)C(F)(F)F)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C26H22F3N7O2/c1-14-8-9-35-21(14)25(38)36(18-6-4-3-5-7-18)24(34-35)15(2)33-23-20(22(30)31-13-32-23)16-10-17(26(27,28)29)12-19(37)11-16/h3-13,15,37H,1-2H3,(H3,30,31,32,33)/t15-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450680
(CHEMBL4168702)Show SMILES COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12 |r| Show InChI InChI=1S/C28H25N7O3/c1-16-11-12-34-24(16)28(37)35(19-7-5-4-6-8-19)27(33-34)17(2)32-26-23-20(14-29-25(23)30-15-31-26)18-9-10-21(36)22(13-18)38-3/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM236935
(US9388189, 36)Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C26H24N8O3/c1-15-11-12-33-21(15)26(37)34(18-8-4-3-5-9-18)24(32-33)16(2)30-23-20(22(27)28-14-29-23)25(36)31-17-7-6-10-19(35)13-17/h3-14,16,35H,1-2H3,(H,31,36)(H3,27,28,29,30)/t16-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450674
(CHEMBL4163332)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(ccc3O)C(F)(F)F)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H22F3N7O2/c1-15-10-11-37-23(15)27(40)38(18-6-4-3-5-7-18)26(36-37)16(2)35-25-22-20(13-32-24(22)33-14-34-25)19-12-17(28(29,30)31)8-9-21(19)39/h3-14,16,39H,1-2H3,(H2,32,33,34,35)/t16-/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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450681
(CHEMBL4171428)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H26N8O3S/c1-17-12-13-35-24(17)28(37)36(21-10-5-4-6-11-21)27(33-35)18(2)32-26-23-22(15-29-25(23)30-16-31-26)19-8-7-9-20(14-19)34-40(3,38)39/h4-16,18,34H,1-3H3,(H2,29,30,31,32)/t18-/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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450691
(CHEMBL4168514)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cccc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C26H26N8O3S/c1-16-12-13-33-22(16)26(35)34(20-10-5-4-6-11-20)25(31-33)17(2)30-24-21(23(27)28-15-29-24)18-8-7-9-19(14-18)32-38(3,36)37/h4-15,17,32H,1-3H3,(H3,27,28,29,30)/t17-/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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50450680
(CHEMBL4168702)Show SMILES COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12 |r| Show InChI InChI=1S/C28H25N7O3/c1-16-11-12-34-24(16)28(37)35(19-7-5-4-6-8-19)27(33-34)17(2)32-26-23-20(14-29-25(23)30-15-31-26)18-9-10-21(36)22(13-18)38-3/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450695
(CHEMBL4176898)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccc(O)cc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H23N7O2/c1-16-12-13-33-23(16)27(36)34(19-6-4-3-5-7-19)26(32-33)17(2)31-25-22-21(14-28-24(22)29-15-30-25)18-8-10-20(35)11-9-18/h3-15,17,35H,1-2H3,(H2,28,29,30,31)/t17-/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450685
(CHEMBL4160167)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cn[nH]c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C24H21N9O/c1-14-8-9-32-20(14)24(34)33(17-6-4-3-5-7-17)23(31-32)15(2)30-22-19-18(16-10-28-29-11-16)12-25-21(19)26-13-27-22/h3-13,15H,1-2H3,(H,28,29)(H2,25,26,27,30)/t15-/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450697
(CHEMBL4176794)Show SMILES C[C@H](Nc1ncnc(N)c1-c1ccc(O)c(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C25H22FN7O2/c1-14-10-11-32-21(14)25(35)33(17-6-4-3-5-7-17)24(31-32)15(2)30-23-20(22(27)28-13-29-23)16-8-9-19(34)18(26)12-16/h3-13,15,34H,1-2H3,(H3,27,28,29,30)/t15-/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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450682
(CHEMBL4167561)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H27N9O3S/c1-17-10-12-38-26(17)30(40)39(20-7-5-4-6-8-20)29(36-38)18(2)35-28-25-23(15-32-27(25)33-16-34-28)22-13-19(37-43(3,41)42)14-24-21(22)9-11-31-24/h4-16,18,31,37H,1-3H3,(H2,32,33,34,35)/t18-/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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM236931
(US9388189, 27)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C27H22FN7O2/c1-15-8-9-34-23(15)27(37)35(19-6-4-3-5-7-19)26(33-34)16(2)32-25-22-21(13-29-24(22)30-14-31-25)17-10-18(28)12-20(36)11-17/h3-14,16,36H,1-2H3,(H2,29,30,31,32)/t16-/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450690
(CHEMBL4175709)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C26H26N8O4S/c1-15-9-10-33-22(15)26(36)34(19-7-5-4-6-8-19)25(31-33)16(2)30-24-21(23(27)28-14-29-24)17-11-18(13-20(35)12-17)32-39(3,37)38/h4-14,16,32,35H,1-3H3,(H3,27,28,29,30)/t16-/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450689
(CHEMBL4161674)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C25H22FN7O2/c1-14-8-9-32-21(14)25(35)33(18-6-4-3-5-7-18)24(31-32)15(2)30-23-20(22(27)28-13-29-23)16-10-17(26)12-19(34)11-16/h3-13,15,34H,1-2H3,(H3,27,28,29,30)/t15-/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50450695
(CHEMBL4176898)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccc(O)cc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H23N7O2/c1-16-12-13-33-23(16)27(36)34(19-6-4-3-5-7-19)26(32-33)17(2)31-25-22-21(14-28-24(22)29-15-30-25)18-8-10-20(35)11-9-18/h3-15,17,35H,1-2H3,(H2,28,29,30,31)/t17-/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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50450675
(CHEMBL4166977)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H26N8O4S/c1-16-9-10-35-24(16)28(38)36(20-7-5-4-6-8-20)27(33-35)17(2)32-26-23-22(14-29-25(23)30-15-31-26)18-11-19(13-21(37)12-18)34-41(3,39)40/h4-15,17,34,37H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM26258
((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)Show SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |c:20| Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Displacement of [3H]-MIB from rat prostate cytosolic androgen receptor by liquid scintillation counting method |
Bioorg Med Chem 25: 1600-1607 (2017)
Article DOI: 10.1016/j.bmc.2017.01.018 BindingDB Entry DOI: 10.7270/Q27D2XCS |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50035088
(CHEMBL3338296)Show SMILES Cc1noc(C2CC2)c1Cc1cc(F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12 Show InChI InChI=1S/C24H22FN3O3/c1-13-3-7-19-17(11-22(29)30)12-28(24(19)26-13)21-8-6-18(25)9-16(21)10-20-14(2)27-31-23(20)15-4-5-15/h3,6-9,12,15H,4-5,10-11H2,1-2H3,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescen... |
Bioorg Med Chem Lett 24: 5127-33 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z |
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)) | BDBM50450696
(CHEMBL4161229)Show SMILES C[C@H](Nc1ncnc2[nH]cc(Sc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H23N7O2S/c1-16-11-12-33-23(16)27(36)34(18-7-4-3-5-8-18)26(32-33)17(2)31-25-22-21(14-28-24(22)29-15-30-25)37-20-10-6-9-19(35)13-20/h3-15,17,35H,1-2H3,(H2,28,29,30,31)/t17-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50208187
(CHEMBL3897116)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C20H18N8O/c1-12-8-9-27-16(12)20(29)28(14-6-4-3-5-7-14)19(26-27)13(2)25-18-15(10-21)17(22)23-11-24-18/h3-9,11,13H,1-2H3,(H3,22,23,24,25)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50035089
(CHEMBL3338297)Show SMILES Cc1noc(C2CC2)c1Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F Show InChI InChI=1S/C25H22F3N3O3/c1-13-3-7-19-17(11-22(32)33)12-31(24(19)29-13)21-8-6-18(25(26,27)28)9-16(21)10-20-14(2)30-34-23(20)15-4-5-15/h3,6-9,12,15H,4-5,10-11H2,1-2H3,(H,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma... |
Bioorg Med Chem Lett 24: 5127-33 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50035039
(CHEMBL3338270)Show SMILES Cc1nnc(C)n1Cc1cc(C)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12 Show InChI InChI=1S/C22H23N5O2/c1-13-5-8-20(18(9-13)12-26-15(3)24-25-16(26)4)27-11-17(10-21(28)29)19-7-6-14(2)23-22(19)27/h5-9,11H,10,12H2,1-4H3,(H,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescen... |
Bioorg Med Chem Lett 24: 5127-33 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z |
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)) | BDBM50208187
(CHEMBL3897116)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C20H18N8O/c1-12-8-9-27-16(12)20(29)28(14-6-4-3-5-7-14)19(26-27)13(2)25-18-15(10-21)17(22)23-11-24-18/h3-9,11,13H,1-2H3,(H3,22,23,24,25)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human N-terminal His6-tagged PI3K p110delta/human p85alpha expressed in baculovirus infected sf21 cells using P... |
ACS Med Chem Lett 8: 118-123 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00438 BindingDB Entry DOI: 10.7270/Q2ZC84WF |
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)) | BDBM50208168
(CHEMBL3924058)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C19H15FN8O/c1-11(25-17-13(9-21)16(22)23-10-24-17)18-26-27-8-7-14(20)15(27)19(29)28(18)12-5-3-2-4-6-12/h2-8,10-11H,1H3,(H3,22,23,24,25)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human N-terminal His6-tagged PI3K p110delta/human p85alpha expressed in baculovirus infected sf21 cells using P... |
ACS Med Chem Lett 8: 118-123 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00438 BindingDB Entry DOI: 10.7270/Q2ZC84WF |
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)) | BDBM50450680
(CHEMBL4168702)Show SMILES COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12 |r| Show InChI InChI=1S/C28H25N7O3/c1-16-11-12-34-24(16)28(37)35(19-7-5-4-6-8-19)27(33-34)17(2)32-26-23-20(14-29-25(23)30-15-31-26)18-9-10-21(36)22(13-18)38-3/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110alpha/recombinant human full length p85alpha using PIP2 as substrate preincuba... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450700
(CHEMBL4163527)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc4cc[nH]c34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H24N8O/c1-17-12-14-36-25(17)29(38)37(20-8-4-3-5-9-20)28(35-36)18(2)34-27-23-22(15-31-26(23)32-16-33-27)21-10-6-7-19-11-13-30-24(19)21/h3-16,18,30H,1-2H3,(H2,31,32,33,34)/t18-/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50450680
(CHEMBL4168702)Show SMILES COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12 |r| Show InChI InChI=1S/C28H25N7O3/c1-16-11-12-34-24(16)28(37)35(19-7-5-4-6-8-19)27(33-34)17(2)32-26-23-20(14-29-25(23)30-15-31-26)18-9-10-21(36)22(13-18)38-3/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM236938
(US9388189, 43)Show SMILES C[C@H](Nc1ncnc2[nH]cc(Cc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C28H25N7O2/c1-17-11-12-34-24(17)28(37)35(21-8-4-3-5-9-21)27(33-34)18(2)32-26-23-20(15-29-25(23)30-16-31-26)13-19-7-6-10-22(36)14-19/h3-12,14-16,18,36H,13H2,1-2H3,(H2,29,30,31,32)/t18-/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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50034956
(CHEMBL3338150)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)n2cccnc12)C(F)(F)F)C(=O)C1CC1 Show InChI InChI=1S/C23H22F3N3O3/c1-2-28(22(32)14-4-5-14)13-15-10-16(23(24,25)26)6-7-18(15)19-11-17(12-20(30)31)29-9-3-8-27-21(19)29/h3,6-11,14H,2,4-5,12-13H2,1H3,(H,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins wi... |
Bioorg Med Chem Lett 24: 5123-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50034956
(CHEMBL3338150)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)n2cccnc12)C(F)(F)F)C(=O)C1CC1 Show InChI InChI=1S/C23H22F3N3O3/c1-2-28(22(32)14-4-5-14)13-15-10-16(23(24,25)26)6-7-18(15)19-11-17(12-20(30)31)29-9-3-8-27-21(19)29/h3,6-11,14H,2,4-5,12-13H2,1H3,(H,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Antagonist activity at CRTh2 receptor in human eosinophil assessed as inhibition of PGD2-induced cell shape change |
Bioorg Med Chem Lett 24: 5118-22 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.005 BindingDB Entry DOI: 10.7270/Q2H70HFQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50208187
(CHEMBL3897116)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C20H18N8O/c1-12-8-9-27-16(12)20(29)28(14-6-4-3-5-7-14)19(26-27)13(2)25-18-15(10-21)17(22)23-11-24-18/h3-9,11,13H,1-2H3,(H3,22,23,24,25)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ... |
ACS Med Chem Lett 8: 118-123 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00438 BindingDB Entry DOI: 10.7270/Q2ZC84WF |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50450691
(CHEMBL4168514)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cccc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C26H26N8O3S/c1-16-12-13-33-22(16)26(35)34(20-10-5-4-6-11-20)25(31-33)17(2)30-24-21(23(27)28-15-29-24)18-8-7-9-19(14-18)32-38(3,36)37/h4-15,17,32H,1-3H3,(H3,27,28,29,30)/t17-/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450692
(CHEMBL4167220)Show SMILES C[C@H](Nc1ncnc(N)c1Sc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C25H23N7O2S/c1-15-11-12-31-20(15)25(34)32(17-7-4-3-5-8-17)24(30-31)16(2)29-23-21(22(26)27-14-28-23)35-19-10-6-9-18(33)13-19/h3-14,16,33H,1-2H3,(H3,26,27,28,29)/t16-/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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
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)) | BDBM50450694
(CHEMBL4174047)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc(F)c3O)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H22FN7O2/c1-15-11-12-34-22(15)27(37)35(17-7-4-3-5-8-17)26(33-34)16(2)32-25-21-19(13-29-24(21)30-14-31-25)18-9-6-10-20(28)23(18)36/h3-14,16,36H,1-2H3,(H2,29,30,31,32)/t16-/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50035038
(CHEMBL3338269)Show SMILES Cc1noc(C)c1Cc1cc(F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12 Show InChI InChI=1S/C22H20FN3O3/c1-12-4-6-18-16(10-21(27)28)11-26(22(18)24-12)20-7-5-17(23)8-15(20)9-19-13(2)25-29-14(19)3/h4-8,11H,9-10H2,1-3H3,(H,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma... |
Bioorg Med Chem Lett 24: 5127-33 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50035077
(CHEMBL3338285)Show SMILES Cc1nnc(C2CC2)n1Cc1cc(ccc1-c1cn(CC(O)=O)c2ccc(F)cc12)C(F)(F)F Show InChI InChI=1S/C24H20F4N4O2/c1-13-29-30-23(14-2-3-14)32(13)10-15-8-16(24(26,27)28)4-6-18(15)20-11-31(12-22(33)34)21-7-5-17(25)9-19(20)21/h4-9,11,14H,2-3,10,12H2,1H3,(H,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescen... |
Bioorg Med Chem Lett 24: 5127-33 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50035079
(CHEMBL3338287)Show SMILES Cc1nnc(Cc2ccccc2)n1Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12 Show InChI InChI=1S/C27H24ClN5O2/c1-17-8-10-23-20(14-26(34)35)15-33(27(23)29-17)24-11-9-22(28)13-21(24)16-32-18(2)30-31-25(32)12-19-6-4-3-5-7-19/h3-11,13,15H,12,14,16H2,1-2H3,(H,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescen... |
Bioorg Med Chem Lett 24: 5127-33 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z |
More data for this Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50035088
(CHEMBL3338296)Show SMILES Cc1noc(C2CC2)c1Cc1cc(F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12 Show InChI InChI=1S/C24H22FN3O3/c1-13-3-7-19-17(11-22(29)30)12-28(24(19)26-13)21-8-6-18(25)9-16(21)10-20-14(2)27-31-23(20)15-4-5-15/h3,6-9,12,15H,4-5,10-11H2,1-2H3,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma... |
Bioorg Med Chem Lett 24: 5127-33 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z |
More data for this Ligand-Target Pair | |