Found 11 hits with Last Name = 'cross' and Initial = 'dae' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50580186
![PNG](/data/jpeg/tenK5058/BindingDB_50580186.png) (CHEMBL5094480)Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cn[nH]c1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Wild type EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50580187
![PNG](/data/jpeg/tenK5058/BindingDB_50580187.png) (CHEMBL5087815)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(C)c1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Wild type EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50580185
![PNG](/data/jpeg/tenK5058/BindingDB_50580185.png) (CHEMBL5077378)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cn[nH]c1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Wild type EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50580188
![PNG](/data/jpeg/tenK5058/BindingDB_50580188.png) (CHEMBL5086066)Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(C)c1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Wild type EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50580192
![PNG](/data/jpeg/tenK5058/BindingDB_50580192.png) (CHEMBL5078413)Show SMILES CCP(=O)(CC)c1ccccc1Nc1nc(Nc2cc(-c3cnn(C)c3)c(cc2OC)N2CCOCC2)ncc1Cl | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Wild type EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50580189
![PNG](/data/jpeg/tenK5058/BindingDB_50580189.png) (CHEMBL5087610)Show SMILES COc1cc(N2CCN(C)CC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(C)c1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Wild type EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50580190
![PNG](/data/jpeg/tenK5058/BindingDB_50580190.png) (CHEMBL5087264)Show SMILES COc1cc(N2CCOCC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(C)c1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Wild type EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50580191
![PNG](/data/jpeg/tenK5058/BindingDB_50580191.png) (CHEMBL5081299)Show SMILES COc1cc(N2CCOCC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cn[nH]c1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Wild type EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50185140
![PNG](/data/jpeg/tenK5018/BindingDB_50185140.png) (AP-26113 | Brigatinib | US11248003, Example Brigat...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Wild type EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50580190
![PNG](/data/jpeg/tenK5058/BindingDB_50580190.png) (CHEMBL5087264)Show SMILES COc1cc(N2CCOCC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(C)c1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in human NCI-H1975 cells assessed as protein phosphorylation measured after 2 hrs by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50185140
![PNG](/data/jpeg/tenK5018/BindingDB_50185140.png) (AP-26113 | Brigatinib | US11248003, Example Brigat...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in human NCI-H1975 cells assessed as protein phosphorylation measured after 2 hrs by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01055 BindingDB Entry DOI: 10.7270/Q2959NF7 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |