Found 416 hits with Last Name = 'wang' and Initial = 'sf' 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 B-raf
(Homo sapiens (Human)) | BDBM50029085
(CHEBI:83405 | CHEMBL525191 | GDC-0879)Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of BRAF V600E mutant (unknown origin) |
Bioorg Med Chem 22: 6201-8 (2014)
Article DOI: 10.1016/j.bmc.2014.08.029 BindingDB Entry DOI: 10.7270/Q2RB7658 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50373038
(CHEMBL407567)Show InChI InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of CPA |
Bioorg Med Chem 16: 3596-601 (2008)
Article DOI: 10.1016/j.bmc.2008.02.010 BindingDB Entry DOI: 10.7270/Q25Q4WZ7 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50301283
((R)-2-benzyl-5-nitro-4-oxopentanoic acid | CHEMBL5...)Show SMILES OC(=O)[C@@H](CC(=O)C[N+]([O-])=O)Cc1ccccc1 |r| Show InChI InChI=1S/C12H13NO5/c14-11(8-13(17)18)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer |
Bioorg Med Chem Lett 19: 5009-11 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.060 BindingDB Entry DOI: 10.7270/Q2F47P73 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50301281
((+/-)-2-benzyl-5,5,5-trifluoro-4-oxopentanoic acid...)Show InChI InChI=1S/C12H11F3O3/c13-12(14,15)10(16)7-9(11(17)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer |
Bioorg Med Chem Lett 19: 5009-11 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.060 BindingDB Entry DOI: 10.7270/Q2F47P73 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50429847
(CHEMBL2338670)Show SMILES Oc1cccc2C(=O)c3cc(C[n+]4ccccc4)cc(O)c3C(=O)c12 Show InChI InChI=1S/C20H13NO4/c22-15-6-4-5-13-17(15)20(25)18-14(19(13)24)9-12(10-16(18)23)11-21-7-2-1-3-8-21/h1-10H,11H2,(H-,22,23,25)/p+1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 279 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate by double Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 1064-73 (2013)
Article DOI: 10.1016/j.bmc.2013.01.015 BindingDB Entry DOI: 10.7270/Q2GB25C5 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50301282
((+/-)-2-benzyl-5-nitro-4-oxopentanoic acid | CHEMB...)Show InChI InChI=1S/C12H13NO5/c14-11(8-13(17)18)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer |
Bioorg Med Chem Lett 19: 5009-11 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.060 BindingDB Entry DOI: 10.7270/Q2F47P73 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50373036
(CHEMBL259621)Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of CPA |
Bioorg Med Chem 16: 3596-601 (2008)
Article DOI: 10.1016/j.bmc.2008.02.010 BindingDB Entry DOI: 10.7270/Q25Q4WZ7 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50373037
(CHEMBL261332)Show InChI InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of CPA |
Bioorg Med Chem 16: 3596-601 (2008)
Article DOI: 10.1016/j.bmc.2008.02.010 BindingDB Entry DOI: 10.7270/Q25Q4WZ7 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50373039
(CHEMBL407566)Show InChI InChI=1S/C7H13NO4/c1-5(2)3-6(7(9)10)4-8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of CPA |
Bioorg Med Chem 16: 3596-601 (2008)
Article DOI: 10.1016/j.bmc.2008.02.010 BindingDB Entry DOI: 10.7270/Q25Q4WZ7 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50301280
((+/-)-2-benzyl-5-bromo-4-oxopentanoic acid | CHEMB...)Show InChI InChI=1S/C12H13BrO3/c13-8-11(14)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer |
Bioorg Med Chem Lett 19: 5009-11 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.060 BindingDB Entry DOI: 10.7270/Q2F47P73 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50301284
((S)-2-benzyl-5-nitro-4-oxopentanoic acid | CHEMBL5...)Show SMILES OC(=O)[C@H](CC(=O)C[N+]([O-])=O)Cc1ccccc1 |r| Show InChI InChI=1S/C12H13NO5/c14-11(8-13(17)18)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer |
Bioorg Med Chem Lett 19: 5009-11 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.060 BindingDB Entry DOI: 10.7270/Q2F47P73 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50373035
(CHEMBL259221)Show InChI InChI=1S/C6H9NO4/c1-2-3-5(6(8)9)4-7(10)11/h2,5H,1,3-4H2,(H,8,9) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 6.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of CPA |
Bioorg Med Chem 16: 3596-601 (2008)
Article DOI: 10.1016/j.bmc.2008.02.010 BindingDB Entry DOI: 10.7270/Q25Q4WZ7 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50373037
(CHEMBL261332)Show InChI InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of CPA |
Bioorg Med Chem 16: 3596-601 (2008)
Article DOI: 10.1016/j.bmc.2008.02.010 BindingDB Entry DOI: 10.7270/Q25Q4WZ7 |
More data for this Ligand-Target Pair | |
Carboxypeptidase A1
(Homo sapiens (Human)) | BDBM50301279
((+/-)-2-benzyl-4-oxopentanoic acid | CHEMBL568460)Show InChI InChI=1S/C12H14O3/c1-9(13)7-11(12(14)15)8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yanbian University
Curated by ChEMBL
| Assay Description Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer |
Bioorg Med Chem Lett 19: 5009-11 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.060 BindingDB Entry DOI: 10.7270/Q2F47P73 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167952
(1-(4-(3-Methoxyphenyl)piperazin-1-yl)-3-(quinazoli...)Show SMILES COc1cccc(c1)N1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C22H26N4O3/c1-28-19-6-4-5-17(13-19)26-11-9-25(10-12-26)14-18(27)15-29-22-20-7-2-3-8-21(20)23-16-24-22/h2-8,13,16,18,27H,9-12,14-15H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.89 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50331095
(CHEMBL1289494 | Tivozanib | US10464902, Tivozanib)Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3.38 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167953
(1-(4-(4-Methoxyphenyl)piperazin-1-yl)-3-(quinazoli...)Show SMILES COc1ccc(cc1)N1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C22H26N4O3/c1-28-19-8-6-17(7-9-19)26-12-10-25(11-13-26)14-18(27)15-29-22-20-4-2-3-5-21(20)23-16-24-22/h2-9,16,18,27H,10-15H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.42 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167954
(1-(4-(3-(Trifluoromethyl)phenyl)piperazin-1-yl)-3-...)Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O2/c23-22(24,25)16-4-3-5-17(12-16)29-10-8-28(9-11-29)13-18(30)14-31-21-19-6-1-2-7-20(19)26-15-27-21/h1-7,12,15,18,30H,8-11,13-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.98 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-tagged microtubule-stimulated KSP motor domain (1 to 369) ATPase activity (unknown origin) preincubated for 30 mins foll... |
Eur J Med Chem 70: 427-33 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.042 BindingDB Entry DOI: 10.7270/Q289179H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167956
(1-(4-(3,4-Dichlorophenyl)piperazin-1-yl)-3-(quinaz...)Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H22Cl2N4O2/c22-18-6-5-15(11-19(18)23)27-9-7-26(8-10-27)12-16(28)13-29-21-17-3-1-2-4-20(17)24-14-25-21/h1-6,11,14,16,28H,7-10,12-13H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.42 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50515757
(CHEMBL4468039)Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1 Show InChI InChI=1S/C21H18ClN5O6S/c22-17-6-5-14(11-18(17)27(29)30)34(31,32)26-9-7-24(8-10-26)13-25-12-16-20(23-25)15-3-1-2-4-19(15)33-21(16)28/h1-6,11-12H,7-10,13H2 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Traditional Chinese Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs in presence of ATP by fluorescence polarization assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111630 BindingDB Entry DOI: 10.7270/Q2W380Q5 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167951
(1-(4-(2-Methoxyphenyl)piperazin-1-yl)-3-(quinazoli...)Show InChI InChI=1S/C22H26N4O3/c1-28-21-9-5-4-8-20(21)26-12-10-25(11-13-26)14-17(27)15-29-22-18-6-2-3-7-19(18)23-16-24-22/h2-9,16-17,27H,10-15H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.98 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Traditional Chinese Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs in presence of ATP by fluorescence polarization assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111630 BindingDB Entry DOI: 10.7270/Q2W380Q5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Traditional Chinese Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of mTOR (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111630 BindingDB Entry DOI: 10.7270/Q2W380Q5 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167957
(1-(4-(2,4-Dimethylphenyl)piperazin-1-yl)-3-(quinaz...)Show SMILES Cc1ccc(N2CCN(CC(O)COc3ncnc4ccccc34)CC2)c(C)c1 Show InChI InChI=1S/C23H28N4O2/c1-17-7-8-22(18(2)13-17)27-11-9-26(10-12-27)14-19(28)15-29-23-20-5-3-4-6-21(20)24-16-25-23/h3-8,13,16,19,28H,9-12,14-15H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12.4 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064769
(CHEMBL3401255)Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C16H13N3O3/c1-10-2-5-15-12(8-10)16-17-13-9-11(19(20)21)3-4-14(13)18(16)6-7-22-15/h2-5,8-9H,6-7H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin... |
Bioorg Med Chem 23: 1231-40 (2015)
Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167950
(1-(4-(4-Nitrophenyl)piperazin-1-yl)-3-(quinazolin-...)Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H23N5O4/c27-18(14-30-21-19-3-1-2-4-20(19)22-15-23-21)13-24-9-11-25(12-10-24)16-5-7-17(8-6-16)26(28)29/h1-8,15,18,27H,9-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16.5 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50510509
(CHEMBL4532073)Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O Show InChI InChI=1S/C25H28N2O4S/c1-14(2)17-11-19(15(3)4)24(20(12-17)16(5)6)32(29,30)27-13-21-23(26-27)18-9-7-8-10-22(18)31-25(21)28/h7-16H,1-6H3 | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Traditional Chinese Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs by fluorescence polarization assay |
Bioorg Med Chem 27: 2261-2267 (2019)
Article DOI: 10.1016/j.bmc.2019.04.021 BindingDB Entry DOI: 10.7270/Q2MC93B4 |
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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time... |
Bioorg Med Chem Lett 24: 2324-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.072 BindingDB Entry DOI: 10.7270/Q2X63PGR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Traditional Chinese Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs in presence of ATP by fluorescence polarization assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111630 BindingDB Entry DOI: 10.7270/Q2W380Q5 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167949
(1-(4-(4-Fluorophenyl)piperazin-1-yl)-3-(quinazolin...)Show InChI InChI=1S/C21H23FN4O2/c22-16-5-7-17(8-6-16)26-11-9-25(10-12-26)13-18(27)14-28-21-19-3-1-2-4-20(19)23-15-24-21/h1-8,15,18,27H,9-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21.8 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50443437
(CHEMBL3087419)Show SMILES Oc1c\c(cc2oc(cc([O-])c12)-c1ccc(Oc2c(cc(c(Cl)c2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc1)=[O+]/c1c(cc(c(Cl)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C29H10Cl2F6N4O13/c30-22-13(28(32,33)34)7-15(38(44)45)26(24(22)40(48)49)52-11-3-1-10(2-4-11)19-9-18(43)21-17(42)5-12(6-20(21)54-19)53-27-16(39(46)47)8-14(29(35,36)37)23(31)25(27)41(50)51/h1-9H,(H-,42,43) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-tagged microtubule-stimulated KSP motor domain (1 to 369) ATPase activity (unknown origin) preincubated for 30 mins foll... |
Eur J Med Chem 70: 427-33 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.042 BindingDB Entry DOI: 10.7270/Q289179H |
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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Traditional Chinese Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs in presence of ATP by fluorescence polarization assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111630 BindingDB Entry DOI: 10.7270/Q2W380Q5 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50443438
(CHEMBL3087418)Show SMILES Oc1cc(Oc2c(cc(cc2C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccc(Oc2c(cc(cc2C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C29H12F6N4O13/c30-28(31,32)17-5-13(36(42)43)7-19(38(46)47)26(17)50-15-3-1-12(2-4-15)23-11-22(41)25-21(40)9-16(10-24(25)52-23)51-27-18(29(33,34)35)6-14(37(44)45)8-20(27)39(48)49/h1-11,40H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-tagged microtubule-stimulated KSP motor domain (1 to 369) ATPase activity (unknown origin) preincubated for 30 mins foll... |
Eur J Med Chem 70: 427-33 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.042 BindingDB Entry DOI: 10.7270/Q289179H |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064788
(CHEMBL3401249)Show InChI InChI=1S/C15H10BrClN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin... |
Bioorg Med Chem 23: 1231-40 (2015)
Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167945
(1-(4-Phenylpiperazin-1-yl)-3-(quinazolin-4-yloxy)p...)Show InChI InChI=1S/C21H24N4O2/c26-18(15-27-21-19-8-4-5-9-20(19)22-16-23-21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16,18,26H,10-15H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32.6 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167948
(1-(4-(2-Fluorophenyl)piperazin-1-yl)-3-(quinazolin...)Show InChI InChI=1S/C21H23FN4O2/c22-18-6-2-4-8-20(18)26-11-9-25(10-12-26)13-16(27)14-28-21-17-5-1-3-7-19(17)23-15-24-21/h1-8,15-16,27H,9-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 34.7 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50443436
(CHEMBL3087420)Show SMILES Oc1c(Oc2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)\c(cc2oc(cc([O-])c12)-c1ccccc1)=[O+]\c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C29H12F6N4O13/c30-28(31,32)13-6-15(36(42)43)25(16(7-13)37(44)45)51-22-11-21-23(19(40)10-20(50-21)12-4-2-1-3-5-12)24(41)27(22)52-26-17(38(46)47)8-14(29(33,34)35)9-18(26)39(48)49/h1-11H,(H-,40,41) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-tagged microtubule-stimulated KSP motor domain (1 to 369) ATPase activity (unknown origin) preincubated for 30 mins foll... |
Eur J Med Chem 70: 427-33 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.042 BindingDB Entry DOI: 10.7270/Q289179H |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50515754
(CHEMBL4448759)Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1 Show InChI InChI=1S/C30H38N4O4S/c1-19(2)22-15-24(20(3)4)29(25(16-22)21(5)6)39(36,37)34-13-11-32(12-14-34)18-33-17-26-28(31-33)23-9-7-8-10-27(23)38-30(26)35/h7-10,15-17,19-21H,11-14,18H2,1-6H3 | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Traditional Chinese Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs in presence of ATP by fluorescence polarization assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111630 BindingDB Entry DOI: 10.7270/Q2W380Q5 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50331095
(CHEMBL1289494 | Tivozanib | US10464902, Tivozanib)Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 42.4 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167947
(1-(4-(3-Chlorophenyl)piperazin-1-yl)-3-(quinazolin...)Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN4O2/c22-16-4-3-5-17(12-16)26-10-8-25(9-11-26)13-18(27)14-28-21-19-6-1-2-7-20(19)23-15-24-21/h1-7,12,15,18,27H,8-11,13-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 47.4 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167955
(1-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-3-(quinaz...)Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2N4O2/c22-17-5-3-7-19(20(17)23)27-10-8-26(9-11-27)12-15(28)13-29-21-16-4-1-2-6-18(16)24-14-25-21/h1-7,14-15,28H,8-13H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 47.7 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167946
(1-(4-(2-Chlorophenyl)piperazin-1-yl)-3-(quinazolin...)Show InChI InChI=1S/C21H23ClN4O2/c22-18-6-2-4-8-20(18)26-11-9-25(10-12-26)13-16(27)14-28-21-17-5-1-3-7-19(17)23-15-24-21/h1-8,15-16,27H,9-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49.8 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50443425
(CHEMBL3087430)Show SMILES Oc1cc(Oc2c(cc(c(Cl)c2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc2OC(CC(=O)c12)c1ccc(Oc2c(cc(c(Cl)c2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc1 Show InChI InChI=1S/C29H12Cl2F6N4O13/c30-22-13(28(32,33)34)7-15(38(44)45)26(24(22)40(48)49)52-11-3-1-10(2-4-11)19-9-18(43)21-17(42)5-12(6-20(21)54-19)53-27-16(39(46)47)8-14(29(35,36)37)23(31)25(27)41(50)51/h1-8,19,42H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-tagged microtubule-stimulated KSP motor domain (1 to 369) ATPase activity (unknown origin) preincubated for 30 mins foll... |
Eur J Med Chem 70: 427-33 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.042 BindingDB Entry DOI: 10.7270/Q289179H |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167958
(1-(4-Benzylpiperazin-1-yl)-3-(quinazolin-4-yloxy)p...)Show InChI InChI=1S/C22H26N4O2/c27-19(16-28-22-20-8-4-5-9-21(20)23-17-24-22)15-26-12-10-25(11-13-26)14-18-6-2-1-3-7-18/h1-9,17,19,27H,10-16H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 52.2 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167960
(1-(4-Ethylpiperazin-1-yl)-3-(quinazolin-4-yloxy)pr...)Show InChI InChI=1S/C17H24N4O2/c1-2-20-7-9-21(10-8-20)11-14(22)12-23-17-15-5-3-4-6-16(15)18-13-19-17/h3-6,13-14,22H,2,7-12H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54.4 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM167952
(1-(4-(3-Methoxyphenyl)piperazin-1-yl)-3-(quinazoli...)Show SMILES COc1cccc(c1)N1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C22H26N4O3/c1-28-19-6-4-5-17(13-19)26-11-9-25(10-12-26)14-18(27)15-29-22-20-7-2-3-8-21(20)23-16-24-22/h2-8,13,16,18,27H,9-12,14-15H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54.4 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167965
(1-(2-Methyl-1H-imidazol-1-yl)-3-(quinazolin-4-ylox...)Show InChI InChI=1S/C15H16N4O2/c1-11-16-6-7-19(11)8-12(20)9-21-15-13-4-2-3-5-14(13)17-10-18-15/h2-7,10,12,20H,8-9H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55.7 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50443426
(CHEMBL3087429)Show SMILES Oc1cc(Oc2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc2OC(CC(=O)c12)c1ccc(Oc2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc1 Show InChI InChI=1S/C29H14F6N4O13/c30-28(31,32)13-5-17(36(42)43)26(18(6-13)37(44)45)50-15-3-1-12(2-4-15)23-11-22(41)25-21(40)9-16(10-24(25)52-23)51-27-19(38(46)47)7-14(29(33,34)35)8-20(27)39(48)49/h1-10,23,40H,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-tagged microtubule-stimulated KSP motor domain (1 to 369) ATPase activity (unknown origin) preincubated for 30 mins foll... |
Eur J Med Chem 70: 427-33 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.042 BindingDB Entry DOI: 10.7270/Q289179H |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM167959
(1-(4-Methylpiperazin-1-yl)-3-(quinazolin-4-yloxy)p...)Show InChI InChI=1S/C16H22N4O2/c1-19-6-8-20(9-7-19)10-13(21)11-22-16-14-4-2-3-5-15(14)17-12-18-16/h2-5,12-13,21H,6-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 59.3 | n/a | n/a | n/a | n/a | 7.2 | 25 |
Nanjing University
| Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r... |
Chem Biol Drug Des 86: 1323-9 (2015)
Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR |
More data for this Ligand-Target Pair | |