Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50006468 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 |
|---|
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 (unknown origin) assessed as ATP level by luminescence analysis |
Bioorg Med Chem 24: 179-90 (2016)
Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0 |
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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of wild-type EGFR tyrosine kinase (unknown origin) assessed as ATP level by luminescence analysis |
Bioorg Med Chem 24: 179-90 (2016)
Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR tyrosine kinase L858R mutant (unknown origin) assessed as ATP level by luminescence analysis |
Bioorg Med Chem 24: 179-90 (2016)
Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50500089
(CHEMBL3740910)Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(CN5CCCC5)cc4)cc23)c1 Show InChI InChI=1S/C27H25F3N6O/c28-27(29,30)19-4-3-5-21(14-19)33-25-23-15-22(10-11-24(23)31-17-32-25)35-26(37)34-20-8-6-18(7-9-20)16-36-12-1-2-13-36/h3-11,14-15,17H,1-2,12-13,16H2,(H,31,32,33)(H2,34,35,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of wild-type EGFR tyrosine kinase (unknown origin) assessed as ATP level by luminescence analysis |
Bioorg Med Chem 24: 179-90 (2016)
Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50500090
(CHEMBL3741473)Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(CN5CCCCC5)cc4)cc23)c1 Show InChI InChI=1S/C28H27F3N6O/c29-28(30,31)20-5-4-6-22(15-20)34-26-24-16-23(11-12-25(24)32-18-33-26)36-27(38)35-21-9-7-19(8-10-21)17-37-13-2-1-3-14-37/h4-12,15-16,18H,1-3,13-14,17H2,(H,32,33,34)(H2,35,36,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of wild-type EGFR tyrosine kinase (unknown origin) assessed as ATP level by luminescence analysis |
Bioorg Med Chem 24: 179-90 (2016)
Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50500088
(CHEMBL3740144)Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 Show InChI InChI=1S/C34H33ClFN7O2/c1-42-13-15-43(16-14-42)20-23-5-7-26(8-6-23)40-34(44)41-27-9-11-31-29(18-27)33(38-22-37-31)39-28-10-12-32(30(35)19-28)45-21-24-3-2-4-25(36)17-24/h2-12,17-19,22H,13-16,20-21H2,1H3,(H,37,38,39)(H2,40,41,44) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of wild-type EGFR tyrosine kinase (unknown origin) assessed as ATP level by luminescence analysis |
Bioorg Med Chem 24: 179-90 (2016)
Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50500090
(CHEMBL3741473)Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(CN5CCCCC5)cc4)cc23)c1 Show InChI InChI=1S/C28H27F3N6O/c29-28(30,31)20-5-4-6-22(15-20)34-26-24-16-23(11-12-25(24)32-18-33-26)36-27(38)35-21-9-7-19(8-10-21)17-37-13-2-1-3-14-37/h4-12,15-16,18H,1-3,13-14,17H2,(H,32,33,34)(H2,35,36,38) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR tyrosine kinase L858R mutant (unknown origin) assessed as ATP level by luminescence analysis |
Bioorg Med Chem 24: 179-90 (2016)
Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50500089
(CHEMBL3740910)Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(CN5CCCC5)cc4)cc23)c1 Show InChI InChI=1S/C27H25F3N6O/c28-27(29,30)19-4-3-5-21(14-19)33-25-23-15-22(10-11-24(23)31-17-32-25)35-26(37)34-20-8-6-18(7-9-20)16-36-12-1-2-13-36/h3-11,14-15,17H,1-2,12-13,16H2,(H,31,32,33)(H2,34,35,37) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR tyrosine kinase L858R mutant (unknown origin) assessed as ATP level by luminescence analysis |
Bioorg Med Chem 24: 179-90 (2016)
Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50500089
(CHEMBL3740910)Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(CN5CCCC5)cc4)cc23)c1 Show InChI InChI=1S/C27H25F3N6O/c28-27(29,30)19-4-3-5-21(14-19)33-25-23-15-22(10-11-24(23)31-17-32-25)35-26(37)34-20-8-6-18(7-9-20)16-36-12-1-2-13-36/h3-11,14-15,17H,1-2,12-13,16H2,(H,31,32,33)(H2,34,35,37) | 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 | 565 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 (unknown origin) assessed as ATP level by luminescence analysis |
Bioorg Med Chem 24: 179-90 (2016)
Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50500088
(CHEMBL3740144)Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 Show InChI InChI=1S/C34H33ClFN7O2/c1-42-13-15-43(16-14-42)20-23-5-7-26(8-6-23)40-34(44)41-27-9-11-31-29(18-27)33(38-22-37-31)39-28-10-12-32(30(35)19-28)45-21-24-3-2-4-25(36)17-24/h2-12,17-19,22H,13-16,20-21H2,1H3,(H,37,38,39)(H2,40,41,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 (unknown origin) assessed as ATP level by luminescence analysis |
Bioorg Med Chem 24: 179-90 (2016)
Article DOI: 10.1016/j.bmc.2015.12.001
BindingDB Entry DOI: 10.7270/Q2SJ1PM0 |
More data for this
Ligand-Target Pair | |
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