Found 14 hits for monomerid = 50193031 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of human Aurora kinase A (E122 to K401 residues) expressed in mammalian expression system by Z'LYTE assay |
ACS Med Chem Lett 7: 908-912 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kbeta (P118 to S1070 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay |
ACS Med Chem Lett 7: 908-912 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE 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 |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay |
ACS Med Chem Lett 7: 908-912 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of human Aurora kinase B (D25 to A303 residues) expressed in mammalian expression system by Z'LYTE assay |
ACS Med Chem Lett 7: 908-912 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha (R108 to N1068 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay |
ACS Med Chem Lett 7: 908-912 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay |
ACS Med Chem Lett 7: 908-912 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) |
J Med Chem 62: 4783-4814 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01298 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 4.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50193031
(CHEMBL3959351 | US11155556, No. 12)Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O4S/c1-16-7-8-21-20(13-16)24(33)30(3)22-15-26-25(28-23(22)29(21)2)27-17-5-4-6-19(14-17)36(34,35)31-11-9-18(32)10-12-31/h4-8,13-15,18,32H,9-12H2,1-3H3,(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) by Alphascreen assay |
ACS Med Chem Lett 7: 908-912 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0 |
More data for this Ligand-Target Pair | |