Found 223 hits with Last Name = 'khafizova' and Initial = 'g' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308156
![PNG](/data/jpeg/tenK5030/BindingDB_50308156.png) (CHEMBL592615 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...)Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C29H37N9O4/c1-36(2)12-11-30-26(39)22-5-9-24(10-6-22)32-29(40)31-23-7-3-21(4-8-23)25-33-27(37-13-17-41-18-14-37)35-28(34-25)38-15-19-42-20-16-38/h3-10H,11-20H2,1-2H3,(H,30,39)(H2,31,32,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308135
![PNG](/data/jpeg/tenK5030/BindingDB_50308135.png) (1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50378663
![PNG](/data/jpeg/tenK5037/BindingDB_50378663.png) (CHEMBL1204015)Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C30H39N9O4/c1-36(2)12-13-37(3)27(40)23-6-10-25(11-7-23)32-30(41)31-24-8-4-22(5-9-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h4-11H,12-21H2,1-3H3,(H2,31,32,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50378662
![PNG](/data/jpeg/tenK5037/BindingDB_50378662.png) (CHEMBL1204014)Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C30H37N9O4/c1-36-10-12-37(13-11-36)27(40)23-4-8-25(9-5-23)32-30(41)31-24-6-2-22(3-7-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h2-9H,10-21H2,1H3,(H2,31,32,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308156
![PNG](/data/jpeg/tenK5030/BindingDB_50308156.png) (CHEMBL592615 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...)Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C29H37N9O4/c1-36(2)12-11-30-26(39)22-5-9-24(10-6-22)32-29(40)31-23-7-3-21(4-8-23)25-33-27(37-13-17-41-18-14-37)35-28(34-25)38-15-19-42-20-16-38/h3-10H,11-20H2,1-2H3,(H,30,39)(H2,31,32,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50378663
![PNG](/data/jpeg/tenK5037/BindingDB_50378663.png) (CHEMBL1204015)Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C30H39N9O4/c1-36(2)12-13-37(3)27(40)23-6-10-25(11-7-23)32-30(41)31-24-8-4-22(5-9-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h4-11H,12-21H2,1-3H3,(H2,31,32,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308137
![PNG](/data/jpeg/tenK5030/BindingDB_50308137.png) (1-(4-(1,4'-bipiperidine-1'-carbonyl)phenyl)-3-(4-(...)Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C35H45N9O4/c45-32(42-16-12-30(13-17-42)41-14-2-1-3-15-41)27-6-10-29(11-7-27)37-35(46)36-28-8-4-26(5-9-28)31-38-33(43-18-22-47-23-19-43)40-34(39-31)44-20-24-48-25-21-44/h4-11,30H,1-3,12-25H2,(H2,36,37,46) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308137
![PNG](/data/jpeg/tenK5030/BindingDB_50308137.png) (1-(4-(1,4'-bipiperidine-1'-carbonyl)phenyl)-3-(4-(...)Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C35H45N9O4/c45-32(42-16-12-30(13-17-42)41-14-2-1-3-15-41)27-6-10-29(11-7-27)37-35(46)36-28-8-4-26(5-9-28)31-38-33(43-18-22-47-23-19-43)40-34(39-31)44-20-24-48-25-21-44/h4-11,30H,1-3,12-25H2,(H2,36,37,46) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308136
![PNG](/data/jpeg/tenK5030/BindingDB_50308136.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C34H43N9O4/c44-31(41-15-11-29(12-16-41)40-13-1-2-14-40)26-5-9-28(10-6-26)36-34(45)35-27-7-3-25(4-8-27)30-37-32(42-17-21-46-22-18-42)39-33(38-30)43-19-23-47-24-20-43/h3-10,29H,1-2,11-24H2,(H2,35,36,45) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308155
![PNG](/data/jpeg/tenK5030/BindingDB_50308155.png) (4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pheny...)Show SMILES CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C26H30N8O4/c1-27-23(35)19-4-8-21(9-5-19)29-26(36)28-20-6-2-18(3-7-20)22-30-24(33-10-14-37-15-11-33)32-25(31-22)34-12-16-38-17-13-34/h2-9H,10-17H2,1H3,(H,27,35)(H2,28,29,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308136
![PNG](/data/jpeg/tenK5030/BindingDB_50308136.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C34H43N9O4/c44-31(41-15-11-29(12-16-41)40-13-1-2-14-40)26-5-9-28(10-6-26)36-34(45)35-27-7-3-25(4-8-27)30-37-32(42-17-21-46-22-18-42)39-33(38-30)43-19-23-47-24-20-43/h3-10,29H,1-2,11-24H2,(H2,35,36,45) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308147
![PNG](/data/jpeg/tenK5030/BindingDB_50308147.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C25H29N7O4/c33-17-18-1-5-20(6-2-18)26-25(34)27-21-7-3-19(4-8-21)22-28-23(31-9-13-35-14-10-31)30-24(29-22)32-11-15-36-16-12-32/h1-8,33H,9-17H2,(H2,26,27,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308150
![PNG](/data/jpeg/tenK5030/BindingDB_50308150.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1cccnc1 Show InChI InChI=1S/C23H26N8O3/c32-23(26-19-2-1-7-24-16-19)25-18-5-3-17(4-6-18)20-27-21(30-8-12-33-13-9-30)29-22(28-20)31-10-14-34-15-11-31/h1-7,16H,8-15H2,(H2,25,26,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308151
![PNG](/data/jpeg/tenK5030/BindingDB_50308151.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C23H26N8O3/c32-23(26-19-5-7-24-8-6-19)25-18-3-1-17(2-4-18)20-27-21(30-9-13-33-14-10-30)29-22(28-20)31-11-15-34-16-12-31/h1-8H,9-16H2,(H2,24,25,26,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50378662
![PNG](/data/jpeg/tenK5037/BindingDB_50378662.png) (CHEMBL1204014)Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C30H37N9O4/c1-36-10-12-37(13-11-36)27(40)23-4-8-25(9-5-23)32-30(41)31-24-6-2-22(3-7-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h2-9H,10-21H2,1H3,(H2,31,32,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308155
![PNG](/data/jpeg/tenK5030/BindingDB_50308155.png) (4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pheny...)Show SMILES CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C26H30N8O4/c1-27-23(35)19-4-8-21(9-5-19)29-26(36)28-20-6-2-18(3-7-20)22-30-24(33-10-14-37-15-11-33)32-25(31-22)34-12-16-38-17-13-34/h2-9H,10-17H2,1H3,(H,27,35)(H2,28,29,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308154
![PNG](/data/jpeg/tenK5030/BindingDB_50308154.png) (4-[3-{4-(4,6-Dimorpholino-1,3,5-triazin-2yl)-pheny...)Show SMILES OC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C25H27N7O5/c33-22(34)18-3-7-20(8-4-18)27-25(35)26-19-5-1-17(2-6-19)21-28-23(31-9-13-36-14-10-31)30-24(29-21)32-11-15-37-16-12-32/h1-8H,9-16H2,(H,33,34)(H2,26,27,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308148
![PNG](/data/jpeg/tenK5030/BindingDB_50308148.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C26H31N7O4/c34-14-9-19-1-5-21(6-2-19)27-26(35)28-22-7-3-20(4-8-22)23-29-24(32-10-15-36-16-11-32)31-25(30-23)33-12-17-37-18-13-33/h1-8,34H,9-18H2,(H2,27,28,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308135
![PNG](/data/jpeg/tenK5030/BindingDB_50308135.png) (1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308150
![PNG](/data/jpeg/tenK5030/BindingDB_50308150.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1cccnc1 Show InChI InChI=1S/C23H26N8O3/c32-23(26-19-2-1-7-24-16-19)25-18-5-3-17(4-6-18)20-27-21(30-8-12-33-13-9-30)29-22(28-20)31-10-14-34-15-11-31/h1-7,16H,8-15H2,(H2,25,26,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308149
![PNG](/data/jpeg/tenK5030/BindingDB_50308149.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES O=C(Nc1cccs1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C22H25N7O3S/c30-22(24-18-2-1-15-33-18)23-17-5-3-16(4-6-17)19-25-20(28-7-11-31-12-8-28)27-21(26-19)29-9-13-32-14-10-29/h1-6,15H,7-14H2,(H2,23,24,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308148
![PNG](/data/jpeg/tenK5030/BindingDB_50308148.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C26H31N7O4/c34-14-9-19-1-5-21(6-2-19)27-26(35)28-22-7-3-20(4-8-22)23-29-24(32-10-15-36-16-11-32)31-25(30-23)33-12-17-37-18-13-33/h1-8,34H,9-18H2,(H2,27,28,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308147
![PNG](/data/jpeg/tenK5030/BindingDB_50308147.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C25H29N7O4/c33-17-18-1-5-20(6-2-18)26-25(34)27-21-7-3-19(4-8-21)22-28-23(31-9-13-35-14-10-31)30-24(29-22)32-11-15-36-16-12-32/h1-8,33H,9-17H2,(H2,26,27,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50131531
![PNG](/data/jpeg/tenK5013/BindingDB_50131531.png) (2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCc1cccnc1 Show InChI InChI=1S/C22H27N3O5S2/c1-5-6-14-30-18-9-11-19(12-10-18)32(28,29)25(4)20(21(26)24-27)22(2,3)31-16-17-8-7-13-23-15-17/h7-13,15,20,27H,14,16H2,1-4H3,(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of Matrix metalloprotein 13 |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308149
![PNG](/data/jpeg/tenK5030/BindingDB_50308149.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES O=C(Nc1cccs1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C22H25N7O3S/c30-22(24-18-2-1-15-33-18)23-17-5-3-16(4-6-17)19-25-20(28-7-11-31-12-8-28)27-21(26-19)29-9-13-32-14-10-29/h1-6,15H,7-14H2,(H2,23,24,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308152
![PNG](/data/jpeg/tenK5030/BindingDB_50308152.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1ccnnc1 Show InChI InChI=1S/C22H25N9O3/c32-22(26-18-5-6-23-24-15-18)25-17-3-1-16(2-4-17)19-27-20(30-7-11-33-12-8-30)29-21(28-19)31-9-13-34-14-10-31/h1-6,15H,7-14H2,(H2,23,25,26,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308153
![PNG](/data/jpeg/tenK5030/BindingDB_50308153.png) (4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pheny...)Show SMILES COC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C26H29N7O5/c1-36-23(34)19-4-8-21(9-5-19)28-26(35)27-20-6-2-18(3-7-20)22-29-24(32-10-14-37-15-11-32)31-25(30-22)33-12-16-38-17-13-33/h2-9H,10-17H2,1H3,(H2,27,28,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
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 |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308151
![PNG](/data/jpeg/tenK5030/BindingDB_50308151.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C23H26N8O3/c32-23(26-19-5-7-24-8-6-19)25-18-3-1-17(2-4-18)20-27-21(30-9-13-33-14-10-30)29-22(28-20)31-11-15-34-16-12-31/h1-8H,9-16H2,(H2,24,25,26,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308140
![PNG](/data/jpeg/tenK5030/BindingDB_50308140.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phen...)Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C24H27N7O3/c32-24(25-19-4-2-1-3-5-19)26-20-8-6-18(7-9-20)21-27-22(30-10-14-33-15-11-30)29-23(28-21)31-12-16-34-17-13-31/h1-9H,10-17H2,(H2,25,26,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131518
![PNG](/data/jpeg/tenK5013/BindingDB_50131518.png) (2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxy-3...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(CSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C19H21N3O5S2/c1-2-3-11-27-16-6-8-17(9-7-16)29(25,26)22-18(19(23)21-24)14-28-13-15-5-4-10-20-12-15/h4-10,12,18,22,24H,11,13-14H2,1H3,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308140
![PNG](/data/jpeg/tenK5030/BindingDB_50308140.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phen...)Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C24H27N7O3/c32-24(25-19-4-2-1-3-5-19)26-20-8-6-18(7-9-20)21-27-22(30-10-14-33-15-11-30)29-23(28-21)31-12-16-34-17-13-31/h1-9H,10-17H2,(H2,25,26,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308143
![PNG](/data/jpeg/tenK5030/BindingDB_50308143.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C24H26FN7O3/c25-18-3-7-20(8-4-18)27-24(33)26-19-5-1-17(2-6-19)21-28-22(31-9-13-34-14-10-31)30-23(29-21)32-11-15-35-16-12-32/h1-8H,9-16H2,(H2,26,27,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131523
![PNG](/data/jpeg/tenK5013/BindingDB_50131523.png) ((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydro...)Show InChI InChI=1S/C13H16N2O5S/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15-10(2)13(16)14-17/h5-8,10,15,17H,9H2,1-2H3,(H,14,16)/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50131531
![PNG](/data/jpeg/tenK5013/BindingDB_50131531.png) (2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCc1cccnc1 Show InChI InChI=1S/C22H27N3O5S2/c1-5-6-14-30-18-9-11-19(12-10-18)32(28,29)25(4)20(21(26)24-27)22(2,3)31-16-17-8-7-13-23-15-17/h7-13,15,20,27H,14,16H2,1-4H3,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of Matrix metalloprotein-9 |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131527
![PNG](/data/jpeg/tenK5013/BindingDB_50131527.png) ((R)-2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)[C@H](C)C(=O)NO Show InChI InChI=1S/C14H18N2O5S/c1-4-5-10-21-12-6-8-13(9-7-12)22(19,20)16(3)11(2)14(17)15-18/h6-9,11,18H,10H2,1-3H3,(H,15,17)/t11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131516
![PNG](/data/jpeg/tenK5013/BindingDB_50131516.png) (2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxyac...)Show InChI InChI=1S/C12H14N2O5S/c1-2-3-8-19-10-4-6-11(7-5-10)20(17,18)13-9-12(15)14-16/h4-7,13,16H,8-9H2,1H3,(H,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50131519
![PNG](/data/jpeg/tenK5013/BindingDB_50131519.png) (2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(CSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C20H23N3O5S2/c1-3-4-12-28-17-7-9-18(10-8-17)30(26,27)23(2)19(20(24)22-25)15-29-14-16-6-5-11-21-13-16/h5-11,13,19,25H,12,14-15H2,1-2H3,(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of Matrix metalloprotein 13 |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50308135
![PNG](/data/jpeg/tenK5030/BindingDB_50308135.png) (1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50308135
![PNG](/data/jpeg/tenK5030/BindingDB_50308135.png) (1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50308135
![PNG](/data/jpeg/tenK5030/BindingDB_50308135.png) (1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131520
![PNG](/data/jpeg/tenK5013/BindingDB_50131520.png) (2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxy-3...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(C(=O)NO)C(C)(C)SCc1cccnc1 Show InChI InChI=1S/C21H25N3O5S2/c1-4-5-13-29-17-8-10-18(11-9-17)31(27,28)24-19(20(25)23-26)21(2,3)30-15-16-7-6-12-22-14-16/h6-12,14,19,24,26H,13,15H2,1-3H3,(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131519
![PNG](/data/jpeg/tenK5013/BindingDB_50131519.png) (2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(CSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C20H23N3O5S2/c1-3-4-12-28-17-7-9-18(10-8-17)30(26,27)23(2)19(20(24)22-25)15-29-14-16-6-5-11-21-13-16/h5-11,13,19,25H,12,14-15H2,1-2H3,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308154
![PNG](/data/jpeg/tenK5030/BindingDB_50308154.png) (4-[3-{4-(4,6-Dimorpholino-1,3,5-triazin-2yl)-pheny...)Show SMILES OC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C25H27N7O5/c33-22(34)18-3-7-20(8-4-18)27-25(35)26-19-5-1-17(2-6-19)21-28-23(31-9-13-36-14-10-31)30-24(29-21)32-11-15-37-16-12-32/h1-8H,9-16H2,(H,33,34)(H2,26,27,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308144
![PNG](/data/jpeg/tenK5030/BindingDB_50308144.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C25H29N7O3/c1-18-2-6-20(7-3-18)26-25(33)27-21-8-4-19(5-9-21)22-28-23(31-10-14-34-15-11-31)30-24(29-22)32-12-16-35-17-13-32/h2-9H,10-17H2,1H3,(H2,26,27,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308143
![PNG](/data/jpeg/tenK5030/BindingDB_50308143.png) (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C24H26FN7O3/c25-18-3-7-20(8-4-18)27-24(33)26-19-5-1-17(2-6-19)21-28-22(31-9-13-34-14-10-31)30-23(29-21)32-11-15-35-16-12-32/h1-8H,9-16H2,(H2,26,27,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308145
![PNG](/data/jpeg/tenK5030/BindingDB_50308145.png) (1-(4-Chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,...)Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C24H26ClN7O3/c25-18-3-7-20(8-4-18)27-24(33)26-19-5-1-17(2-6-19)21-28-22(31-9-13-34-14-10-31)30-23(29-21)32-11-15-35-16-12-32/h1-8H,9-16H2,(H2,26,27,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM26550
![PNG](/data/jpeg/tenK2/BindingDB_26550.png) (2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)Show InChI InChI=1S/C13H16N2O5S/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131530
![PNG](/data/jpeg/tenK5013/BindingDB_50131530.png) (2-(4-(but-2-ynyloxy)-N-(pyridin-3-ylmethyl)phenyls...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccnc1 Show InChI InChI=1S/C18H19N3O5S/c1-2-3-11-26-16-6-8-17(9-7-16)27(24,25)21(14-18(22)20-23)13-15-5-4-10-19-12-15/h4-10,12,23H,11,13-14H2,1H3,(H,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50131520
![PNG](/data/jpeg/tenK5013/BindingDB_50131520.png) (2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxy-3...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(C(=O)NO)C(C)(C)SCc1cccnc1 Show InChI InChI=1S/C21H25N3O5S2/c1-4-5-13-29-17-8-10-18(11-9-17)31(27,28)24-19(20(25)23-26)21(2,3)30-15-16-7-6-12-22-14-16/h6-12,14,19,24,26H,13,15H2,1-3H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description In vitro inhibition of Matrix metalloprotein 13 |
Bioorg Med Chem Lett 13: 2799-803 (2003)
BindingDB Entry DOI: 10.7270/Q21N80H7 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50308156
![PNG](/data/jpeg/tenK5030/BindingDB_50308156.png) (CHEMBL592615 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...)Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C29H37N9O4/c1-36(2)12-11-30-26(39)22-5-9-24(10-6-22)32-29(40)31-23-7-3-21(4-8-23)25-33-27(37-13-17-41-18-14-37)35-28(34-25)38-15-19-42-20-16-38/h3-10H,11-20H2,1-2H3,(H,30,39)(H2,31,32,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma |
J Med Chem 53: 2636-45 (2010)
Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH |
More data for this Ligand-Target Pair | |