Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50002383 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 |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after... |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50457968
(CHEMBL4207750)Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after... |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110gamma (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110beta (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110delta (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50457969
(CHEMBL4206585)Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1 Show InChI InChI=1S/C24H23N5O5S/c1-4-35(31,32)29-21-12-17(13-25-23(21)33-2)15-8-9-20-19(11-15)22(27-14-26-20)28-18-7-5-6-16(10-18)24(30)34-3/h5-14,29H,4H2,1-3H3,(H,26,27,28) | 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 | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50457968
(CHEMBL4207750)Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28) | 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 | 317 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50457969
(CHEMBL4206585)Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1 Show InChI InChI=1S/C24H23N5O5S/c1-4-35(31,32)29-21-12-17(13-25-23(21)33-2)15-8-9-20-19(11-15)22(27-14-26-20)28-18-7-5-6-16(10-18)24(30)34-3/h5-14,29H,4H2,1-3H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 409 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after... |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50457969
(CHEMBL4206585)Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1 Show InChI InChI=1S/C24H23N5O5S/c1-4-35(31,32)29-21-12-17(13-25-23(21)33-2)15-8-9-20-19(11-15)22(27-14-26-20)28-18-7-5-6-16(10-18)24(30)34-3/h5-14,29H,4H2,1-3H3,(H,26,27,28) | 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 | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110gamma (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50457968
(CHEMBL4207750)Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110gamma (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50457969
(CHEMBL4206585)Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1 Show InChI InChI=1S/C24H23N5O5S/c1-4-35(31,32)29-21-12-17(13-25-23(21)33-2)15-8-9-20-19(11-15)22(27-14-26-20)28-18-7-5-6-16(10-18)24(30)34-3/h5-14,29H,4H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110delta (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50457969
(CHEMBL4206585)Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1 Show InChI InChI=1S/C24H23N5O5S/c1-4-35(31,32)29-21-12-17(13-25-23(21)33-2)15-8-9-20-19(11-15)22(27-14-26-20)28-18-7-5-6-16(10-18)24(30)34-3/h5-14,29H,4H2,1-3H3,(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110beta (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50457968
(CHEMBL4207750)Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28) | 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 | 8.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110delta (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50457968
(CHEMBL4207750)Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28) | 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 | 9.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110beta (unknown origin) using PIP2 as substrate by ELISA |
Eur J Med Chem 146: 460-470 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G |
More data for this Ligand-Target Pair | |