Found 122 hits with Last Name = 'qiu' and Initial = 'n' 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 |
Fatty acid-binding protein, adipocyte
(Rattus norvegicus) | BDBM50212873
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35) | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay |
Eur J Med Chem 52: 70-81 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.006 BindingDB Entry DOI: 10.7270/Q26H4JD5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Rattus norvegicus) | BDBM50381857
(CHEMBL2023268)Show InChI InChI=1S/C18H14FNO2/c19-16-7-3-1-5-14(16)12-20-11-13(9-10-18(21)22)15-6-2-4-8-17(15)20/h1-11H,12H2,(H,21,22)/b10-9+ | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay |
Eur J Med Chem 52: 70-81 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.006 BindingDB Entry DOI: 10.7270/Q26H4JD5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040437
(CHEMBL3360608)Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H22N6O4/c1-3-17-7-6-8-18(13-17)28-23-19-14-21(33-2)22(15-20(19)26-16-27-23)34-12-5-4-10-29-11-9-25-24(29)30(31)32/h1,6-9,11,13-16H,4-5,10,12H2,2H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040432
(CHEMBL3360603)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C22H20ClFN6O4/c1-33-19-11-15-18(26-13-27-21(15)28-14-4-5-17(24)16(23)10-14)12-20(19)34-9-3-2-7-29-8-6-25-22(29)30(31)32/h4-6,8,10-13H,2-3,7,9H2,1H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) by mobility shift assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040435
(CHEMBL3360606)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C22H20ClFN6O5/c1-33-19-11-15-18(26-13-27-21(15)28-14-2-3-17(24)16(23)10-14)12-20(19)35-9-8-34-7-6-29-5-4-25-22(29)30(31)32/h2-5,10-13H,6-9H2,1H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039330
(CHEMBL3355877)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H24ClFN6O4/c1-35-21-14-20-17(23(29-15-28-20)30-16-6-7-19(26)18(25)12-16)13-22(21)36-11-5-3-2-4-9-31-10-8-27-24(31)32(33)34/h6-8,10,12-15H,2-5,9,11H2,1H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040449
(CHEMBL3360619)Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C23H23BrN6O4/c1-33-20-13-18-19(26-15-27-22(18)28-17-7-5-6-16(24)12-17)14-21(20)34-11-4-2-3-9-29-10-8-25-23(29)30(31)32/h5-8,10,12-15H,2-4,9,11H2,1H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Testis-specific serine/threonine-protein kinase 1
(Mus musculus) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of mouse TSSK1 by luminescent ADP-Glo assay kit |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040448
(CHEMBL3360618)Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C22H21BrN6O4/c1-32-19-12-17-18(25-14-26-21(17)27-16-6-4-5-15(23)11-16)13-20(19)33-10-3-2-8-28-9-7-24-22(28)29(30)31/h4-7,9,11-14H,2-3,8,10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
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 | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040438
(CHEMBL3360609)Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C25H24N6O4/c1-3-18-8-7-9-19(14-18)29-24-20-15-22(34-2)23(16-21(20)27-17-28-24)35-13-6-4-5-11-30-12-10-26-25(30)31(32)33/h1,7-10,12,14-17H,4-6,11,13H2,2H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039328
(CHEMBL3355875)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C22H20ClFN6O4/c1-33-19-12-18-15(21(27-13-26-18)28-14-4-5-17(24)16(23)10-14)11-20(19)34-9-3-2-7-29-8-6-25-22(29)30(31)32/h4-6,8,10-13H,2-3,7,9H2,1H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039334
(CHEMBL3355881)Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C25H24N6O4/c1-3-18-8-7-9-19(14-18)29-24-20-15-23(22(34-2)16-21(20)27-17-28-24)35-13-6-4-5-11-30-12-10-26-25(30)31(32)33/h1,7-10,12,14-17H,4-6,11,13H2,2H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040447
(CHEMBL3360617)Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C21H19BrN6O4/c1-31-18-11-16-17(24-13-25-20(16)26-15-5-2-4-14(22)10-15)12-19(18)32-9-3-7-27-8-6-23-21(27)28(29)30/h2,4-6,8,10-13H,3,7,9H2,1H3,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039335
(CHEMBL3355882)Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C26H26N6O4/c1-3-19-9-8-10-20(15-19)30-25-21-16-24(23(35-2)17-22(21)28-18-29-25)36-14-7-5-4-6-12-31-13-11-27-26(31)32(33)34/h1,8-11,13,15-18H,4-7,12,14H2,2H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039329
(CHEMBL3355876)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C23H22ClFN6O4/c1-34-20-13-19-16(22(28-14-27-19)29-15-5-6-18(25)17(24)11-15)12-21(20)35-10-4-2-3-8-30-9-7-26-23(30)31(32)33/h5-7,9,11-14H,2-4,8,10H2,1H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040433
(CHEMBL3360604)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C23H22ClFN6O4/c1-34-20-12-16-19(27-14-28-22(16)29-15-5-6-18(25)17(24)11-15)13-21(20)35-10-4-2-3-8-30-9-7-26-23(30)31(32)33/h5-7,9,11-14H,2-4,8,10H2,1H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039459
(CHEMBL3355889)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C23H22ClFN6O4/c1-14-26-12-22(31(32)33)30(14)7-3-4-8-35-21-10-16-19(11-20(21)34-2)27-13-28-23(16)29-15-5-6-18(25)17(24)9-15/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040441
(CHEMBL3360611)Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCOCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H22N6O5/c1-3-17-5-4-6-18(13-17)28-23-19-14-21(33-2)22(15-20(19)26-16-27-23)35-12-11-34-10-9-29-8-7-25-24(29)30(31)32/h1,4-8,13-16H,9-12H2,2H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039333
(CHEMBL3355880)Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H22N6O4/c1-3-17-7-6-8-18(13-17)28-23-19-14-22(21(33-2)15-20(19)26-16-27-23)34-12-5-4-10-29-11-9-25-24(29)30(31)32/h1,6-9,11,13-16H,4-5,10,12H2,2H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040440
(CHEMBL3360610)Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C26H26N6O4/c1-3-19-9-8-10-20(15-19)30-25-21-16-23(35-2)24(17-22(21)28-18-29-25)36-14-7-5-4-6-12-31-13-11-27-26(31)32(33)34/h1,8-11,13,15-18H,4-7,12,14H2,2H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040436
(CHEMBL3360607)Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C23H20N6O4/c1-3-16-6-4-7-17(12-16)27-22-18-13-20(32-2)21(14-19(18)25-15-26-22)33-11-5-9-28-10-8-24-23(28)29(30)31/h1,4,6-8,10,12-15H,5,9,11H2,2H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039331
(CHEMBL3355878)Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C21H19BrN6O4/c1-31-18-12-17-16(20(25-13-24-17)26-15-5-2-4-14(22)10-15)11-19(18)32-9-3-7-27-8-6-23-21(27)28(29)30/h2,4-6,8,10-13H,3,7,9H2,1H3,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 (unknown origin) by mobility shift assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040431
(CHEMBL3360602)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C21H18ClFN6O4/c1-32-18-10-14-17(25-12-26-20(14)27-13-3-4-16(23)15(22)9-13)11-19(18)33-8-2-6-28-7-5-24-21(28)29(30)31/h3-5,7,9-12H,2,6,8H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040450
(CHEMBL3352899)Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H25BrN6O4/c1-34-21-14-19-20(27-16-28-23(19)29-18-8-6-7-17(25)13-18)15-22(21)35-12-5-3-2-4-10-30-11-9-26-24(30)31(32)33/h6-9,11,13-16H,2-5,10,12H2,1H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040451
(CHEMBL3360620)Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCOCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C22H21BrN6O5/c1-32-19-12-17-18(25-14-26-21(17)27-16-4-2-3-15(23)11-16)13-20(19)34-10-9-33-8-7-28-6-5-24-22(28)29(30)31/h2-6,11-14H,7-10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039327
(CHEMBL3355874)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C21H18ClFN6O4/c1-32-18-11-17-14(20(26-12-25-17)27-13-3-4-16(23)15(22)9-13)10-19(18)33-8-2-6-28-7-5-24-21(28)29(30)31/h3-5,7,9-12H,2,6,8H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of P70S6K (unknown origin) by mobility shift assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039332
(CHEMBL3355879)Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C23H20N6O4/c1-3-16-6-4-7-17(12-16)27-22-18-13-21(20(32-2)14-19(18)25-15-26-22)33-11-5-9-28-10-8-24-23(28)29(30)31/h1,4,6-8,10,12-15H,5,9,11H2,2H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged recombinant full-length human CHK1 expressed in baculovirus Sf9 insect cells after 10 mins by luminescent ADP-Glo... |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039460
(CHEMBL3355890)Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C22H21BrN6O4/c1-14-24-12-21(29(30)31)28(14)7-4-8-33-20-10-17-18(11-19(20)32-2)25-13-26-22(17)27-16-6-3-5-15(23)9-16/h3,5-6,9-13H,4,7-8H2,1-2H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of RSK1 (unknown origin) by Z-LYTE kinase assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040434
(CHEMBL3360605)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H24ClFN6O4/c1-35-21-13-17-20(28-15-29-23(17)30-16-6-7-19(26)18(25)12-16)14-22(21)36-11-5-3-2-4-9-31-10-8-27-24(31)32(33)34/h6-8,10,12-15H,2-5,9,11H2,1H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-5
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of MSK1 (unknown origin) by mobility shift assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039326
(CHEMBL3355873)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C20H16ClFN6O4/c1-31-17-10-16-13(9-18(17)32-7-6-27-5-4-23-20(27)28(29)30)19(25-11-24-16)26-12-2-3-15(22)14(21)8-12/h2-5,8-11H,6-7H2,1H3,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039458
(CHEMBL3355888)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C22H20ClFN6O4/c1-13-25-11-21(30(31)32)29(13)6-3-7-34-20-9-15-18(10-19(20)33-2)26-12-27-22(15)28-14-4-5-17(24)16(23)8-14/h4-5,8-12H,3,6-7H2,1-2H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039457
(CHEMBL3355887)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C21H18ClFN6O4/c1-12-24-10-20(29(30)31)28(12)5-6-33-19-8-14-17(9-18(19)32-2)25-11-26-21(14)27-13-3-4-16(23)15(22)7-13/h3-4,7-11H,5-6H2,1-2H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of BRAF (unknown origin) after 1 hr by HTRF assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
cGMP-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of PRKG1 (unknown origin) by mobility shift assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of PDK1 (unknown origin) by mobility shift assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) after 60 mins by Z-LYTE kinase assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | 3D Structure (docked) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of ALK (unknown origin) by mobility shift assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) after 1 hr by HTRF assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) after 10 mins by Kinase-Glo Luminescent Assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of mTOR (unknown origin) by lance ultra assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of Akt3 (unknown origin) by mobility shift assay |
Eur J Med Chem 117: 47-58 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.074 BindingDB Entry DOI: 10.7270/Q2QJ7K5K |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) after 1 hr by ADP-Glo Luminescent assay |
Bioorg Med Chem 23: 7585-96 (2015)
Article DOI: 10.1016/j.bmc.2015.11.003 BindingDB Entry DOI: 10.7270/Q2HD7ZPM |
More data for this Ligand-Target Pair | |