Found 15 hits of ic50 for monomerid = 50341209 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 |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of mTOR (unknown origin) |
Bioorg Med Chem 26: 4537-4543 (2018)
Article DOI: 10.1016/j.bmc.2018.07.047 BindingDB Entry DOI: 10.7270/Q20C4ZDW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of DNA-PK |
J Med Chem 54: 1473-80 (2011)
Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H |
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)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of P110 alpha/p85alpha |
J Med Chem 54: 1473-80 (2011)
Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of P110gamma |
J Med Chem 54: 1473-80 (2011)
Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of hVPS34 |
J Med Chem 54: 1473-80 (2011)
Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB
Reactome pathway
UniProtKB/SwissProt
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| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Target of rapamycin complex 2 subunit MAPKAP1
(Homo sapiens) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of N-terminally FLAG-tagged mTORC2 (unknown origin) expressed in human HeLa cells using S6K1 or Akt1 as substrate after 20 mins by immunob... |
J Med Chem 61: 4656-4687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01019 BindingDB Entry DOI: 10.7270/Q2RR22GW |
More data for this Ligand-Target Pair | |
Target of rapamycin complex subunit LST8
(Homo sapiens) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB
KEGG
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| PDB Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of N-terminally FLAG-tagged mTORC1 (unknown origin) expressed in HEK293T cells using S6K1 or Akt1 as substrate after 20 mins by immunoblot... |
J Med Chem 61: 4656-4687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01019 BindingDB Entry DOI: 10.7270/Q2RR22GW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of PI4K beta |
J Med Chem 54: 1473-80 (2011)
Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H |
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)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of P110delta/P85alpha |
J Med Chem 54: 1473-80 (2011)
Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of PI3K-C2beta |
J Med Chem 54: 1473-80 (2011)
Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of PI3K-C2alpha |
J Med Chem 54: 1473-80 (2011)
Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114232 BindingDB Entry DOI: 10.7270/Q27W6H6X |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of PI4K alpha |
J Med Chem 54: 1473-80 (2011)
Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H |
More data for this Ligand-Target Pair | |