Found 1317 hits with Last Name = 'wissner' and Initial = 'a' 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 |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM25558
(4-arylamino-3-pyridinecarbonitrile, 4p | 5-(3,4-di...)Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H18N4O2/c1-27-20-6-3-14(10-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-4-5-19-15(9-17)7-8-25-19/h3-10,12-13,25H,1-2H3,(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 79 | -40.1 | 70 | n/a | n/a | n/a | n/a | 7.2 | 22 |
Wyeth Research
| Assay Description All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl... |
J Med Chem 51: 5958-63 (2008)
Article DOI: 10.1021/jm800214a BindingDB Entry DOI: 10.7270/Q21V5C8K |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM25543
(4-[(3-bromophenyl)amino]-5-(3,4-dimethoxyphenyl)py...)Show InChI InChI=1S/C20H16BrN3O2/c1-25-18-7-6-13(8-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-5-3-4-15(21)9-16/h3-9,11-12H,1-2H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.90E+3 | -30.0 | 4.60E+3 | n/a | n/a | n/a | n/a | 7.2 | 22 |
Wyeth Research
| Assay Description All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl... |
J Med Chem 51: 5958-63 (2008)
Article DOI: 10.1021/jm800214a BindingDB Entry DOI: 10.7270/Q21V5C8K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1/3
(Homo sapiens (Human)) | BDBM28123
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MEK1 phosphorylation in LoVo cells |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161957
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human EGFR in presence of 1 uM ATP |
Bioorg Med Chem 15: 3635-48 (2007)
Article DOI: 10.1016/j.bmc.2007.03.055 BindingDB Entry DOI: 10.7270/Q2GF0VB8 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161957
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human EGFR in presence of 1 mM ATP |
Bioorg Med Chem 15: 3635-48 (2007)
Article DOI: 10.1016/j.bmc.2007.03.055 BindingDB Entry DOI: 10.7270/Q2GF0VB8 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6479
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)Show SMILES COc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(cnc3cc2cc1OCCN1CCOCC1)C#N Show InChI InChI=1S/C30H32N4O6/c1-35-25-13-19-11-23-24(12-20(19)14-26(25)40-10-7-34-5-8-39-9-6-34)32-18-21(17-31)29(23)33-22-15-27(36-2)30(38-4)28(16-22)37-3/h11-16,18H,5-10H2,1-4H3,(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Wyeth Research
| Assay Description Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra... |
Bioorg Med Chem Lett 12: 2989-92 (2002)
Article DOI: 10.1016/s0960-894x(02)00577-2 BindingDB Entry DOI: 10.7270/Q24B2ZHC |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50002445
(CHEMBL2113171)Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=C(Cl)C3=O)c2cc1OC |t:13,23| Show InChI InChI=1S/C21H20ClF2N3O6/c1-30-3-4-32-17-7-13-12(5-16(17)31-2)21(26-10-25-13)27-14-6-15(28)20(18(22)19(14)29)33-11(8-23)9-24/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM31090
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human EGFR in presence of 1 uM ATP |
Bioorg Med Chem 15: 3635-48 (2007)
Article DOI: 10.1016/j.bmc.2007.03.055 BindingDB Entry DOI: 10.7270/Q2GF0VB8 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6478
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)Show SMILES COc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(cnc3cc2cc1OCCN1CCN(C)CC1)C#N Show InChI InChI=1S/C31H35N5O5/c1-35-6-8-36(9-7-35)10-11-41-27-15-21-13-25-24(12-20(21)14-26(27)37-2)30(22(18-32)19-33-25)34-23-16-28(38-3)31(40-5)29(17-23)39-4/h12-17,19H,6-11H2,1-5H3,(H,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Wyeth Research
| Assay Description Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra... |
Bioorg Med Chem Lett 12: 2989-92 (2002)
Article DOI: 10.1016/s0960-894x(02)00577-2 BindingDB Entry DOI: 10.7270/Q24B2ZHC |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357333
(CHEMBL1916891)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate preincubated for 60 mins measured after 60 mins by ... |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357313
(CHEMBL1916712)Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCOCC1 Show InChI InChI=1S/C26H26N6O3/c1-18-6-3-4-7-19(18)29-26-23-16-27-17-32(23)22-14-21(24(34-2)15-20(22)30-26)28-25(33)8-5-9-31-10-12-35-13-11-31/h3-4,6-7,14-17H,9-13H2,1-2H3,(H,28,33)(H,29,30) | 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 | 0.847 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357314
(CHEMBL1916713)Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCCCC1 Show InChI InChI=1S/C27H28N6O2/c1-19-9-4-5-10-20(19)30-27-24-17-28-18-33(24)23-15-22(25(35-2)16-21(23)31-27)29-26(34)11-8-14-32-12-6-3-7-13-32/h4-5,9-10,15-18H,3,6-7,12-14H2,1-2H3,(H,29,34)(H,30,31) | 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 | 0.847 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357316
(CHEMBL1916715)Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H26N6O2/c1-16-8-5-6-9-17(16)27-24-21-14-25-15-30(21)20-12-19(22(32-4)13-18(20)28-24)26-23(31)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,26,31)(H,27,28)/b10-7+ | 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 | 0.884 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50002593
(CHEMBL2113187)Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4cccc(F)c4)=CC3=O)c2cc1OC |c:26,t:13| Show InChI InChI=1S/C24H20FN3O6/c1-31-6-7-33-23-11-17-16(9-22(23)32-2)24(27-13-26-17)28-18-10-20(30)21(12-19(18)29)34-15-5-3-4-14(25)8-15/h3-5,8-13H,6-7H2,1-2H3,(H,26,27,28) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50002446
(CHEMBL2113172)Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC)=C(Cl)C3=O)c2cc1OC |t:13,19| Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)18(28-3)16(20)17(12)25/h6-9H,4-5H2,1-3H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50177852
(3-Chloro-2-ethoxy-5-{[6-methoxy-7-(2-methoxyethoxy...)Show SMILES CCOC1=C(Cl)C(=O)C(Nc2ncnc3cc(OCCOC)c(OC)cc23)=CC1=O |c:3,28| Show InChI InChI=1S/C20H20ClN3O6/c1-4-29-19-14(25)8-13(18(26)17(19)21)24-20-11-7-15(28-3)16(30-6-5-27-2)9-12(11)22-10-23-20/h7-10H,4-6H2,1-3H3,(H,22,23,24) | 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 | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50177827
(3-Chloro-2-[(3-fluorobenzyl)oxy]-5-{[6-methoxy-7-(...)Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(OCc4cccc(F)c4)=C(Cl)C3=O)c2cc1OC |w:12.11,t:27| Show InChI InChI=1S/C25H21ClFN3O6/c1-33-6-7-35-21-11-17-16(9-20(21)34-2)25(29-13-28-17)30-18-10-19(31)24(22(26)23(18)32)36-12-14-4-3-5-15(27)8-14/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3 | 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 | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50002446
(CHEMBL2113172)Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC)=C(Cl)C3=O)c2cc1OC |t:13,19| Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)18(28-3)16(20)17(12)25/h6-9H,4-5H2,1-3H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 mm ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132262
(4-[3-Chloro-4-(1,5-dimethyl-1H-imidazol-2-ylsulfan...)Show SMILES COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H31ClN6O3S/c1-19-17-33-29(35(19)2)40-27-6-5-21(13-23(27)30)34-28-20(16-31)18-32-24-15-26(25(37-3)14-22(24)28)39-10-4-7-36-8-11-38-12-9-36/h5-6,13-15,17-18H,4,7-12H2,1-3H3,(H,32,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28124
(3-cyanoquinoline, 9 | 6-methoxy-7-[3-(morpholin-4-...)Show SMILES COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6477
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)Show SMILES COc1cc(Nc2c(cnc3cc4cc(OC)c(OC)cc4cc23)C#N)c(C)cc1Cl Show InChI InChI=1S/C24H20ClN3O3/c1-13-5-18(25)21(29-2)10-19(13)28-24-16(11-26)12-27-20-7-15-9-23(31-4)22(30-3)8-14(15)6-17(20)24/h5-10,12H,1-4H3,(H,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50357333
(CHEMBL1916891)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of EGFR preincubated for 60 mins measured after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50177845
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22| Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3 | 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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM50357333
(CHEMBL1916891)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.53 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BMX relative to control |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50357321
(CHEMBL1916879)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c3cncn3c2c1 Show InChI InChI=1S/C32H30F3N7O2/c1-20-10-11-23(37-31(44)21-7-5-8-22(15-21)32(33,34)35)16-26(20)39-30-28-18-36-19-42(28)27-17-24(12-13-25(27)38-30)41(4)29(43)9-6-14-40(2)3/h5-13,15-19H,14H2,1-4H3,(H,37,44)(H,38,39)/b9-6+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.55 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357330
(CHEMBL1916888)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(O)ccc3C)c3cncn3c2c1 Show InChI InChI=1S/C24H26N6O2/c1-16-7-9-18(31)13-20(16)27-24-22-14-25-15-30(22)21-12-17(8-10-19(21)26-24)29(4)23(32)6-5-11-28(2)3/h5-10,12-15,31H,11H2,1-4H3,(H,26,27)/b6-5+ | 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 | 1.55 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50177836
(2-{[6-Methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]a...)Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(OCCOc4ccccc4)=CC3=O)c2cc1OC |w:12.11,c:28| Show InChI InChI=1S/C26H25N3O7/c1-32-8-9-36-25-14-19-18(12-24(25)33-2)26(28-16-27-19)29-20-13-22(31)23(15-21(20)30)35-11-10-34-17-6-4-3-5-7-17/h3-7,12,14-16H,8-11,13H2,1-2H3 | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50177829
(2-Chloro-3-methoxy-5-{[6-methoxy-7-(2-methoxyethox...)Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(Cl)=C(OC)C3=O)c2cc1OC |w:12.11,t:18| Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)16(20)18(28-3)17(12)25/h6,8-9H,4-5,7H2,1-3H3 | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50177845
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22| Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3 | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 mm ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50177845
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22| Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3 | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357334
(CHEMBL1916892)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1Cl)c1cncn21 Show InChI InChI=1S/C23H22ClFN6O/c1-29(2)10-6-9-22(32)30(3)19-12-20-18(11-16(19)25)28-23(21-13-26-14-31(20)21)27-17-8-5-4-7-15(17)24/h4-9,11-14H,10H2,1-3H3,(H,27,28)/b9-6+ | 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 | 1.82 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357324
(CHEMBL1916882)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cccc(F)c3C)c3cncn3c2c1 Show InChI InChI=1S/C24H25FN6O/c1-16-18(25)7-5-8-19(16)27-24-22-14-26-15-31(22)21-13-17(10-11-20(21)28-24)30(4)23(32)9-6-12-29(2)3/h5-11,13-15H,12H2,1-4H3,(H,27,28)/b9-6+ | 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 | 1.89 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50177845
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22| Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3 | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50141149
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N Show InChI InChI=1S/C21H19BrN6O/c1-28(2)8-4-7-20(29)27-19-10-17-18(13-25-19)24-12-14(11-23)21(17)26-16-6-3-5-15(22)9-16/h3-7,9-10,12-13H,8H2,1-2H3,(H,24,26)(H,25,27,29)/b7-4+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 1411-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50141149
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N Show InChI InChI=1S/C21H19BrN6O/c1-28(2)8-4-7-20(29)27-19-10-17-18(13-25-19)24-12-14(11-23)21(17)26-16-6-3-5-15(22)9-16/h3-7,9-10,12-13H,8H2,1-2H3,(H,24,26)(H,25,27,29)/b7-4+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 1411-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.034 BindingDB Entry DOI: 10.7270/Q2G161DC |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50177848
(2-Chloro-3-isopropoxy-5-{[6-methoxy-7-(2-methoxyet...)Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(Cl)=C(OC(C)C)C3=O)c2cc1OC |w:12.11,t:18| Show InChI InChI=1S/C21H22ClN3O6/c1-11(2)31-20-18(22)15(26)8-14(19(20)27)25-21-12-7-16(29-4)17(30-6-5-28-3)9-13(12)23-10-24-21/h7,9-11H,5-6,8H2,1-4H3 | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357333
(CHEMBL1916891)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | 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 | 1.93 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132260
(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4567
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor |
J Med Chem 46: 49-63 (2002)
Article DOI: 10.1021/jm020241c BindingDB Entry DOI: 10.7270/Q2PV6M3H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132261
(4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCS(=O)CC1)C#N Show InChI InChI=1S/C28H29ClN6O3S2/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(37-2)15-21(23)27)38-11-3-7-35-9-12-40(36)13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28123
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132266
(4-[3-Bromo-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-p...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Br)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29BrN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50132264
(4-[3-Chloro-4-(1,4,5-trimethyl-1H-imidazol-2-ylsul...)Show SMILES COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H33ClN6O3S/c1-19-20(2)36(3)30(34-19)41-28-7-6-22(14-24(28)31)35-29-21(17-32)18-33-25-16-27(26(38-4)15-23(25)29)40-11-5-8-37-9-12-39-13-10-37/h6-7,14-16,18H,5,8-13H2,1-4H3,(H,33,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28123
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay |
Bioorg Med Chem Lett 13: 3031-4 (2003)
BindingDB Entry DOI: 10.7270/Q2P84B8T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6480
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)Show SMILES COc1cc2cc3c(Nc4ccc(Cl)cc4Cl)c(cnc3cc2cc1OCCN1CCOCC1)C#N Show InChI InChI=1S/C27H24Cl2N4O3/c1-34-25-12-17-10-21-24(11-18(17)13-26(25)36-9-6-33-4-7-35-8-5-33)31-16-19(15-30)27(21)32-23-3-2-20(28)14-22(23)29/h2-3,10-14,16H,4-9H2,1H3,(H,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Wyeth Research
| Assay Description Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra... |
Bioorg Med Chem Lett 12: 2989-92 (2002)
Article DOI: 10.1016/s0960-894x(02)00577-2 BindingDB Entry DOI: 10.7270/Q24B2ZHC |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4582
(4-anilinoquinazoline deriv. 10o | N-{4-[(3-bromoph...)Show InChI InChI=1S/C18H13BrN4O2/c19-12-3-1-4-13(9-12)23-18-15-10-14(22-17(25)5-2-8-24)6-7-16(15)20-11-21-18/h1,3-4,6-7,9-11,24H,8H2,(H,22,25)(H,20,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth-Ayerst Research
| Assay Description The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po... |
J Med Chem 44: 2719-34 (2001)
Article DOI: 10.1021/jm0005555 BindingDB Entry DOI: 10.7270/Q2PN93TS |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4567
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth-Ayerst Research
| Assay Description The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po... |
J Med Chem 44: 2719-34 (2001)
Article DOI: 10.1021/jm0005555 BindingDB Entry DOI: 10.7270/Q2PN93TS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50002578
(CHEMBL2113199)Show SMILES COc1cc2c(NC3=CC(=O)C(OCc4ccccn4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |c:20,t:7| Show InChI InChI=1S/C28H29N5O5/c1-36-26-13-20-21(15-27(26)37-12-6-11-33-9-4-5-10-33)30-18-31-28(20)32-22-14-24(35)25(16-23(22)34)38-17-19-7-2-3-8-29-19/h2-3,7-8,13-16,18H,4-6,9-12,17H2,1H3,(H,30,31,32) | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50002585
(CHEMBL2113191)Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Cl)=C(OCC4CC4)C3=O)c2cc1OC |t:13,18| Show InChI InChI=1S/C22H22ClN3O6/c1-29-5-6-31-18-9-14-13(7-17(18)30-2)22(25-11-24-14)26-15-8-16(27)19(23)21(20(15)28)32-10-12-3-4-12/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25,26) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP |
J Med Chem 48: 7560-81 (2005)
Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S |
More data for this Ligand-Target Pair | |