Found 6 hits in this display 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 |
|---|
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM471615
(US10822334, Compound 27)Show SMILES COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1 Show InChI InChI=1S/C28H27F2N7O3/c1-17-10-18(4-5-22(17)39-19-6-9-37-25(13-19)32-16-34-37)35-27-26-21(31-15-33-27)11-20(38-3)12-23(26)40-24-7-8-36(2)14-28(24,29)30/h4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
US Patent
| Assay Description
HER2: The compounds' inhibition of target modulation were determined as follows: BT474 cells were sorted in 96 well plates (20000 cells/well) wit... |
US Patent US10822334 (2020)
BindingDB Entry DOI: 10.7270/Q2QJ7MCP |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM471594
(US10822334, Compound 6)Show SMILES COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1 |r| Show InChI InChI=1S/C28H27F2N7O3/c1-17-10-18(4-5-22(17)39-19-6-9-37-25(13-19)32-16-34-37)35-27-26-21(31-15-33-27)11-20(38-3)12-23(26)40-24-7-8-36(2)14-28(24,29)30/h4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35)/t24-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 19.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
US Patent
| Assay Description
HER2: The compounds' inhibition of target modulation were determined as follows: BT474 cells were sorted in 96 well plates (20000 cells/well) wit... |
US Patent US10822334 (2020)
BindingDB Entry DOI: 10.7270/Q2QJ7MCP |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM471616
(US10822334, Compound 28)Show SMILES COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1 Show InChI InChI=1S/C28H27F2N7O3/c1-17-10-18(4-5-22(17)39-19-6-9-37-25(13-19)32-16-34-37)35-27-26-21(31-15-33-27)11-20(38-3)12-23(26)40-24-7-8-36(2)14-28(24,29)30/h4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35)/t24-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 22.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
US Patent
| Assay Description
HER2: The compounds' inhibition of target modulation were determined as follows: BT474 cells were sorted in 96 well plates (20000 cells/well) wit... |
US Patent US10822334 (2020)
BindingDB Entry DOI: 10.7270/Q2QJ7MCP |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM471594
(US10822334, Compound 6)Show SMILES COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1 |r| Show InChI InChI=1S/C28H27F2N7O3/c1-17-10-18(4-5-22(17)39-19-6-9-37-25(13-19)32-16-34-37)35-27-26-21(31-15-33-27)11-20(38-3)12-23(26)40-24-7-8-36(2)14-28(24,29)30/h4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
US Patent
| Assay Description
EGFR: The compounds' inhibition of target modulation were determined as follows: NCI-H838 cells were sorted in 96 well plates (20000 cells/well) ... |
US Patent US10822334 (2020)
BindingDB Entry DOI: 10.7270/Q2QJ7MCP |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM471615
(US10822334, Compound 27)Show SMILES COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1 Show InChI InChI=1S/C28H27F2N7O3/c1-17-10-18(4-5-22(17)39-19-6-9-37-25(13-19)32-16-34-37)35-27-26-21(31-15-33-27)11-20(38-3)12-23(26)40-24-7-8-36(2)14-28(24,29)30/h4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
US Patent
| Assay Description
EGFR: The compounds' inhibition of target modulation were determined as follows: NCI-H838 cells were sorted in 96 well plates (20000 cells/well) ... |
US Patent US10822334 (2020)
BindingDB Entry DOI: 10.7270/Q2QJ7MCP |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM471616
(US10822334, Compound 28)Show SMILES COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1 Show InChI InChI=1S/C28H27F2N7O3/c1-17-10-18(4-5-22(17)39-19-6-9-37-25(13-19)32-16-34-37)35-27-26-21(31-15-33-27)11-20(38-3)12-23(26)40-24-7-8-36(2)14-28(24,29)30/h4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
US Patent
| Assay Description
EGFR: The compounds' inhibition of target modulation were determined as follows: NCI-H838 cells were sorted in 96 well plates (20000 cells/well) ... |
US Patent US10822334 (2020)
BindingDB Entry DOI: 10.7270/Q2QJ7MCP |
More data for this
Ligand-Target Pair | |