BindingDB logo
myBDB logout

Patent code US10822334

Compile Data Set for Download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50161957
PNG
(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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 1.73n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161957
PNG
(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

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 1.96n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471617
PNG
(US10822334, Compound ONT380)
Show SMILES Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1
Show InChI InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471603
PNG
(US10822334, Compound 15)
Show SMILES Cc1cc(Nc2ncnc3cccc(O[C@H]4CCN[C@@H](C4)C(F)F)c23)ccc1Oc1ccn2ccnc2c1
Show InChI InChI=1S/C28H26F2N6O2/c1-17-13-18(5-6-23(17)37-20-8-11-36-12-10-32-25(36)15-20)35-28-26-21(33-16-34-28)3-2-4-24(26)38-19-7-9-31-22(14-19)27(29)30/h2-6,8,10-13,15-16,19,22,27,31H,7,9,14H2,1H3,(H,33,34,35)/t19-,22-/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 2.55n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
US Patent
n/an/a 3.07n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471595
PNG
(US10822334, Compound 7)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C29H28F2N6O2/c1-18-13-19(7-10-24(18)38-20-8-9-23-22(14-20)34-17-37(23)3)35-28-27-21(32-16-33-28)5-4-6-25(27)39-26-11-12-36(2)15-29(26,30)31/h4-10,13-14,16-17,26H,11-12,15H2,1-3H3,(H,32,33,35)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 5.57n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471614
PNG
(US10822334, Compound 26)
Show SMILES COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1(F)F
Show InChI InChI=1S/C28H27F2N7O3/c1-17-12-18(4-6-21(17)39-19-8-11-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-9-10-36(2)14-28(23,29)30/h4-8,11-13,15-16,23H,9-10,14H2,1-3H3,(H,31,33,35)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 5.84n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471611
PNG
(US10822334, Compound 23)
Show SMILES COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)c2c1OC1CCN(C)CC1(F)F
Show InChI InChI=1S/C28H26F3N7O3/c1-16-10-17(4-6-20(16)40-22-11-24-33-15-35-38(24)12-18(22)29)36-27-25-19(32-14-34-27)5-7-21(39-3)26(25)41-23-8-9-37(2)13-28(23,30)31/h4-7,10-12,14-15,23H,8-9,13H2,1-3H3,(H,32,34,36)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 6.17n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471590
PNG
(US10822334, Compound 2)
Show SMILES Cc1cc(Nc2ncnc3cccc(O[C@@H]4C[C@@H]5CC[C@H](C4)N5CC(F)F)c23)ccc1Oc1ccn2ncnc2c1
Show InChI InChI=1S/C30H29F2N7O2/c1-18-11-19(5-8-25(18)40-22-9-10-39-28(14-22)34-17-36-39)37-30-29-24(33-16-35-30)3-2-4-26(29)41-23-12-20-6-7-21(13-23)38(20)15-27(31)32/h2-5,8-11,14,16-17,20-21,23,27H,6-7,12-13,15H2,1H3,(H,33,35,37)/t20-,21+,23+
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 6.17n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471593
PNG
(US10822334, Compound 5)
Show SMILES COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CN(C)CCC1(F)F
Show InChI InChI=1S/C28H27F2N7O3/c1-17-12-18(4-6-21(17)39-19-8-10-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-14-36(2)11-9-28(23,29)30/h4-8,10,12-13,15-16,23H,9,11,14H2,1-3H3,(H,31,33,35)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 6.83n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471589
PNG
(US10822334, Compound 1 | US10822334, Compound 24)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C27H25F2N7O2/c1-17-12-18(6-7-21(17)37-19-8-11-36-24(13-19)31-16-33-36)34-26-25-20(30-15-32-26)4-3-5-22(25)38-23-9-10-35(2)14-27(23,28)29/h3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 6.86n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471596
PNG
(US10822334, Compound 8)
Show SMILES COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)ncnc2c1
Show InChI InChI=1S/C29H28F2N6O3/c1-18-12-19(4-5-23(18)39-20-6-10-37-11-8-32-26(37)15-20)35-28-27-22(33-17-34-28)13-21(38-3)14-24(27)40-25-7-9-36(2)16-29(25,30)31/h4-6,8,10-15,17,25H,7,9,16H2,1-3H3,(H,33,34,35)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 6.92n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471600
PNG
(US10822334, Compound 12)
Show SMILES CCN1CC[C@H](Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C28H27F2N7O2/c1-3-36-11-10-24(28(29,30)15-36)39-23-6-4-5-21-26(23)27(33-16-31-21)35-19-7-8-22(18(2)13-19)38-20-9-12-37-25(14-20)32-17-34-37/h4-9,12-14,16-17,24H,3,10-11,15H2,1-2H3,(H,31,33,35)/t24-/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 7.56n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471598
PNG
(US10822334, Compound 10)
Show SMILES CN1CCC(Oc2cc(N)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C27H26F2N8O2/c1-16-9-18(3-4-21(16)38-19-5-8-37-24(12-19)32-15-34-37)35-26-25-20(31-14-33-26)10-17(30)11-22(25)39-23-6-7-36(2)13-27(23,28)29/h3-5,8-12,14-15,23H,6-7,13,30H2,1-2H3,(H,31,33,35)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 7.86n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471592
PNG
(US10822334, Compound 4)
Show SMILES COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC[C@H]1CC(F)(F)CCN1C
Show InChI InChI=1S/C29H29F2N7O3/c1-18-12-19(4-6-23(18)41-21-8-10-38-25(13-21)33-17-35-38)36-28-26-22(32-16-34-28)5-7-24(39-3)27(26)40-15-20-14-29(30,31)9-11-37(20)2/h4-8,10,12-13,16-17,20H,9,11,14-15H2,1-3H3,(H,32,34,36)/t20-/m1/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 7.96n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471589
PNG
(US10822334, Compound 1 | US10822334, Compound 24)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C27H25F2N7O2/c1-17-12-18(6-7-21(17)37-19-8-11-36-24(13-19)31-16-33-36)34-26-25-20(30-15-32-26)4-3-5-22(25)38-23-9-10-35(2)14-27(23,28)29/h3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 9.38n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471607
PNG
(US10822334, Compound 19)
Show SMILES C[C@H]1C[C@H](Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)CN1C
Show InChI InChI=1S/C28H27F2N7O2/c1-17-11-19(7-8-22(17)38-20-9-10-37-25(13-20)32-16-34-37)35-27-26-21(31-15-33-27)5-4-6-23(26)39-24-12-18(2)36(3)14-28(24,29)30/h4-11,13,15-16,18,24H,12,14H2,1-3H3,(H,31,33,35)/t18-,24-/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 9.56n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471615
PNG
(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

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 10.3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471604
PNG
(US10822334, Compound 16)
Show SMILES COc1cc(O[C@H]2CCNCC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1
Show InChI InChI=1S/C27H25F2N7O3/c1-16-9-17(3-4-21(16)38-18-6-8-36-24(12-18)32-15-34-36)35-26-25-20(31-14-33-26)10-19(37-2)11-22(25)39-23-5-7-30-13-27(23,28)29/h3-4,6,8-12,14-15,23,30H,5,7,13H2,1-2H3,(H,31,33,35)/t23-/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 10.6n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471610
PNG
(US10822334, Compound 22)
Show SMILES COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)ncnc2c1
Show InChI InChI=1S/C28H26F3N7O3/c1-16-8-17(4-5-21(16)40-22-11-25-33-15-35-38(25)12-19(22)29)36-27-26-20(32-14-34-27)9-18(39-3)10-23(26)41-24-6-7-37(2)13-28(24,30)31/h4-5,8-12,14-15,24H,6-7,13H2,1-3H3,(H,32,34,36)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 11.6n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471606
PNG
(US10822334, Compound 18)
Show SMILES CN1CCC(Oc2cc(OC3CCOC3)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C31H31F2N7O4/c1-19-11-20(3-4-25(19)43-21-5-9-40-28(14-21)35-18-37-40)38-30-29-24(34-17-36-30)12-23(42-22-7-10-41-15-22)13-26(29)44-27-6-8-39(2)16-31(27,32)33/h3-5,9,11-14,17-18,22,27H,6-8,10,15-16H2,1-2H3,(H,34,36,38)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 12.6n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471608
PNG
(US10822334, Compound 20)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12
Show InChI InChI=1S/C29H29N7O2/c1-18-12-19(6-9-25(18)37-22-10-11-36-27(15-22)31-17-33-36)34-29-28-24(30-16-32-29)4-3-5-26(28)38-23-13-20-7-8-21(14-23)35(20)2/h3-6,9-12,15-17,20-21,23H,7-8,13-14H2,1-2H3,(H,30,32,34)/t20-,21+,23-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 12.6n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471599
PNG
(US10822334, Compound 11)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c23)C(F)C1
Show InChI InChI=1S/C28H27FN6O2/c1-18-14-19(6-7-23(18)36-20-8-12-35-13-10-30-26(35)15-20)33-28-27-22(31-17-32-28)4-3-5-25(27)37-24-9-11-34(2)16-21(24)29/h3-8,10,12-15,17,21,24H,9,11,16H2,1-2H3,(H,31,32,33)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 13.1n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471597
PNG
(US10822334, Compound 9)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccc6ccnn6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C28H26F2N6O2/c1-18-14-19(6-9-23(18)37-21-8-7-20-10-12-33-36(20)15-21)34-27-26-22(31-17-32-27)4-3-5-24(26)38-25-11-13-35(2)16-28(25,29)30/h3-10,12,14-15,17,25H,11,13,16H2,1-2H3,(H,31,32,34)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 16.2n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471613
PNG
(US10822334, Compound 25)
Show SMILES CN1CC[C@@H](C[C@@H]1C(F)(F)F)Oc1cccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12
Show InChI InChI=1S/C28H26F3N7O2/c1-17-12-18(6-7-22(17)39-20-9-11-38-25(14-20)33-16-35-38)36-27-26-21(32-15-34-27)4-3-5-23(26)40-19-8-10-37(2)24(13-19)28(29,30)31/h3-7,9,11-12,14-16,19,24H,8,10,13H2,1-2H3,(H,32,34,36)/t19-,24+/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 16.8n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471594
PNG
(US10822334, Compound 6)
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

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 19.6n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471602
PNG
(US10822334, Compound 14)
Show SMILES COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1
Show InChI InChI=1S/C28H26F3N7O3/c1-16-8-20(19(29)12-22(16)40-17-4-7-38-25(11-17)33-15-35-38)36-27-26-21(32-14-34-27)9-18(39-3)10-23(26)41-24-5-6-37(2)13-28(24,30)31/h4,7-12,14-15,24H,5-6,13H2,1-3H3,(H,32,34,36)/t24-/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 19.7n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471601
PNG
(US10822334, Compound 13)
Show SMILES Cc1cc(Nc2ncnc3cccc(OC45CCN(CC4)CC5)c23)ccc1Oc1ccn2ccnc2c1
Show InChI InChI=1S/C29H28N6O2/c1-20-17-21(5-6-24(20)36-22-7-12-35-16-11-30-26(35)18-22)33-28-27-23(31-19-32-28)3-2-4-25(27)37-29-8-13-34(14-9-29)15-10-29/h2-7,11-12,16-19H,8-10,13-15H2,1H3,(H,31,32,33)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 21.8n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471616
PNG
(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

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 22.4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/a 23.1n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471591
PNG
(US10822334, Compound 3)
Show SMILES COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1F
Show InChI InChI=1S/C28H28FN7O3/c1-17-12-18(4-6-22(17)38-19-8-11-36-25(13-19)31-16-33-36)34-28-26-21(30-15-32-28)5-7-24(37-3)27(26)39-23-9-10-35(2)14-20(23)29/h4-8,11-13,15-16,20,23H,9-10,14H2,1-3H3,(H,30,32,34)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471605
PNG
(US10822334, Compound 17)
Show SMILES CN1CC[C@H](Oc2cc(F)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C27H24F3N7O2/c1-16-9-18(3-4-21(16)38-19-5-8-37-24(12-19)32-15-34-37)35-26-25-20(31-14-33-26)10-17(28)11-22(25)39-23-6-7-36(2)13-27(23,29)30/h3-5,8-12,14-15,23H,6-7,13H2,1-2H3,(H,31,33,35)/t23-/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 44n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM471609
PNG
(US10822334, Compound 21)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c23)C(F)(F)CC1
Show InChI InChI=1S/C29H28F2N6O2/c1-19-16-20(6-7-23(19)38-21-8-13-37-15-11-32-26(37)17-21)35-28-27-22(33-18-34-28)4-3-5-24(27)39-25-9-12-36(2)14-10-29(25,30)31/h3-8,11,13,15-18,25H,9-10,12,14H2,1-2H3,(H,33,34,35)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 61.3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471606
PNG
(US10822334, Compound 18)
Show SMILES CN1CCC(Oc2cc(OC3CCOC3)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C31H31F2N7O4/c1-19-11-20(3-4-25(19)43-21-5-9-40-28(14-21)35-18-37-40)38-30-29-24(34-17-36-30)12-23(42-22-7-10-41-15-22)13-26(29)44-27-6-8-39(2)16-31(27,32)33/h3-5,9,11-14,17-18,22,27H,6-8,10,15-16H2,1-2H3,(H,34,36,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 515n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471597
PNG
(US10822334, Compound 9)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccc6ccnn6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C28H26F2N6O2/c1-18-14-19(6-9-23(18)37-21-8-7-20-10-12-33-36(20)15-21)34-27-26-22(31-17-32-27)4-3-5-24(26)38-25-11-13-35(2)16-28(25,29)30/h3-10,12,14-15,17,25H,11,13,16H2,1-2H3,(H,31,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 1.03E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471602
PNG
(US10822334, Compound 14)
Show SMILES COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1
Show InChI InChI=1S/C28H26F3N7O3/c1-16-8-20(19(29)12-22(16)40-17-4-7-38-25(11-17)33-15-35-38)36-27-26-21(32-14-34-27)9-18(39-3)10-23(26)41-24-5-6-37(2)13-28(24,30)31/h4,7-12,14-15,24H,5-6,13H2,1-3H3,(H,32,34,36)/t24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 1.39E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471596
PNG
(US10822334, Compound 8)
Show SMILES COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)ncnc2c1
Show InChI InChI=1S/C29H28F2N6O3/c1-18-12-19(4-5-23(18)39-20-6-10-37-11-8-32-26(37)15-20)35-28-27-22(33-17-34-28)13-21(38-3)14-24(27)40-25-7-9-36(2)16-29(25,30)31/h4-6,8,10-15,17,25H,7,9,16H2,1-3H3,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471610
PNG
(US10822334, Compound 22)
Show SMILES COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)ncnc2c1
Show InChI InChI=1S/C28H26F3N7O3/c1-16-8-17(4-5-21(16)40-22-11-25-33-15-35-38(25)12-19(22)29)36-27-26-20(32-14-34-27)9-18(39-3)10-23(26)41-24-6-7-37(2)13-28(24,30)31/h4-5,8-12,14-15,24H,6-7,13H2,1-3H3,(H,32,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 2.92E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471591
PNG
(US10822334, Compound 3)
Show SMILES COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1F
Show InChI InChI=1S/C28H28FN7O3/c1-17-12-18(4-6-22(17)38-19-8-11-36-25(13-19)31-16-33-36)34-28-26-21(30-15-32-28)5-7-24(37-3)27(26)39-23-9-10-35(2)14-20(23)29/h4-8,11-13,15-16,20,23H,9-10,14H2,1-3H3,(H,30,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471601
PNG
(US10822334, Compound 13)
Show SMILES Cc1cc(Nc2ncnc3cccc(OC45CCN(CC4)CC5)c23)ccc1Oc1ccn2ccnc2c1
Show InChI InChI=1S/C29H28N6O2/c1-20-17-21(5-6-24(20)36-22-7-12-35-16-11-30-26(35)18-22)33-28-27-23(31-19-32-28)3-2-4-25(27)37-29-8-13-34(14-9-29)15-10-29/h2-7,11-12,16-19H,8-10,13-15H2,1H3,(H,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471600
PNG
(US10822334, Compound 12)
Show SMILES CCN1CC[C@H](Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C28H27F2N7O2/c1-3-36-11-10-24(28(29,30)15-36)39-23-6-4-5-21-26(23)27(33-16-31-21)35-19-7-8-22(18(2)13-19)38-20-9-12-37-25(14-20)32-17-34-37/h4-9,12-14,16-17,24H,3,10-11,15H2,1-2H3,(H,31,33,35)/t24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471598
PNG
(US10822334, Compound 10)
Show SMILES CN1CCC(Oc2cc(N)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C27H26F2N8O2/c1-16-9-18(3-4-21(16)38-19-5-8-37-24(12-19)32-15-34-37)35-26-25-20(31-14-33-26)10-17(30)11-22(25)39-23-6-7-36(2)13-27(23,28)29/h3-5,8-12,14-15,23H,6-7,13,30H2,1-2H3,(H,31,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471617
PNG
(US10822334, Compound ONT380)
Show SMILES Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1
Show InChI InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471595
PNG
(US10822334, Compound 7)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C29H28F2N6O2/c1-18-13-19(7-10-24(18)38-20-8-9-23-22(14-20)34-17-37(23)3)35-28-27-21(32-16-33-28)5-4-6-25(27)39-26-11-12-36(2)15-29(26,30)31/h4-10,13-14,16-17,26H,11-12,15H2,1-3H3,(H,32,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471593
PNG
(US10822334, Compound 5)
Show SMILES COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CN(C)CCC1(F)F
Show InChI InChI=1S/C28H27F2N7O3/c1-17-12-18(4-6-21(17)39-19-8-10-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-14-36(2)11-9-28(23,29)30/h4-8,10,12-13,15-16,23H,9,11,14H2,1-3H3,(H,31,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471592
PNG
(US10822334, Compound 4)
Show SMILES COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC[C@H]1CC(F)(F)CCN1C
Show InChI InChI=1S/C29H29F2N7O3/c1-18-12-19(4-6-23(18)41-21-8-10-38-25(13-21)33-17-35-38)36-28-26-22(32-16-34-28)5-7-24(39-3)27(26)40-15-20-14-29(30,31)9-11-37(20)2/h4-8,10,12-13,16-17,20H,9,11,14-15H2,1-3H3,(H,32,34,36)/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471589
PNG
(US10822334, Compound 1 | US10822334, Compound 24)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C27H25F2N7O2/c1-17-12-18(6-7-21(17)37-19-8-11-36-24(13-19)31-16-33-36)34-26-25-20(30-15-32-26)4-3-5-22(25)38-23-9-10-35(2)14-27(23,28)29/h3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471605
PNG
(US10822334, Compound 17)
Show SMILES CN1CC[C@H](Oc2cc(F)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C27H24F3N7O2/c1-16-9-18(3-4-21(16)38-19-5-8-37-24(12-19)32-15-34-37)35-26-25-20(31-14-33-26)10-17(28)11-22(25)39-23-6-7-36(2)13-27(23,29)30/h3-5,8-12,14-15,23H,6-7,13H2,1-2H3,(H,31,33,35)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471599
PNG
(US10822334, Compound 11)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c23)C(F)C1
Show InChI InChI=1S/C28H27FN6O2/c1-18-14-19(6-7-23(18)36-20-8-12-35-13-10-30-26(35)15-20)33-28-27-22(31-17-32-28)4-3-5-25(27)37-24-9-11-34(2)16-21(24)29/h3-8,10,12-15,17,21,24H,9,11,16H2,1-2H3,(H,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471604
PNG
(US10822334, Compound 16)
Show SMILES COc1cc(O[C@H]2CCNCC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1
Show InChI InChI=1S/C27H25F2N7O3/c1-16-9-17(3-4-21(16)38-18-6-8-36-24(12-18)32-15-34-36)35-26-25-20(31-14-33-26)10-19(37-2)11-22(25)39-23-5-7-30-13-27(23,28)29/h3-4,6,8-12,14-15,23,30H,5,7,13H2,1-2H3,(H,31,33,35)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 3.06E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471594
PNG
(US10822334, Compound 6)
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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 3.29E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471615
PNG
(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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 5.13E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471616
PNG
(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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 5.22E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471613
PNG
(US10822334, Compound 25)
Show SMILES CN1CC[C@@H](C[C@@H]1C(F)(F)F)Oc1cccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12
Show InChI InChI=1S/C28H26F3N7O2/c1-17-12-18(6-7-22(17)39-20-9-11-38-25(14-20)33-16-35-38)36-27-26-21(32-15-34-27)4-3-5-23(26)40-19-8-10-37(2)24(13-19)28(29,30)31/h3-7,9,11-12,14-16,19,24H,8,10,13H2,1-2H3,(H,32,34,36)/t19-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471603
PNG
(US10822334, Compound 15)
Show SMILES Cc1cc(Nc2ncnc3cccc(O[C@H]4CCN[C@@H](C4)C(F)F)c23)ccc1Oc1ccn2ccnc2c1
Show InChI InChI=1S/C28H26F2N6O2/c1-17-13-18(5-6-23(17)37-20-8-11-36-12-10-32-25(36)15-20)35-28-26-21(33-16-34-28)3-2-4-24(26)38-19-7-9-31-22(14-19)27(29)30/h2-6,8,10-13,15-16,19,22,27,31H,7,9,14H2,1H3,(H,33,34,35)/t19-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471607
PNG
(US10822334, Compound 19)
Show SMILES C[C@H]1C[C@H](Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)CN1C
Show InChI InChI=1S/C28H27F2N7O2/c1-17-11-19(7-8-22(17)38-20-9-10-37-25(13-20)32-16-34-37)35-27-26-21(31-15-33-27)5-4-6-23(26)39-24-12-18(2)36(3)14-28(24,29)30/h4-11,13,15-16,18,24H,12,14H2,1-3H3,(H,31,33,35)/t18-,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471589
PNG
(US10822334, Compound 1 | US10822334, Compound 24)
Show SMILES CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
Show InChI InChI=1S/C27H25F2N7O2/c1-17-12-18(6-7-21(17)37-19-8-11-36-24(13-19)31-16-33-36)34-26-25-20(30-15-32-26)4-3-5-22(25)38-23-9-10-35(2)14-27(23,28)29/h3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471614
PNG
(US10822334, Compound 26)
Show SMILES COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1(F)F
Show InChI InChI=1S/C28H27F2N7O3/c1-17-12-18(4-6-21(17)39-19-8-11-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-9-10-36(2)14-28(23,29)30/h4-8,11-13,15-16,23H,9-10,14H2,1-3H3,(H,31,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471611
PNG
(US10822334, Compound 23)
Show SMILES COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)c2c1OC1CCN(C)CC1(F)F
Show InChI InChI=1S/C28H26F3N7O3/c1-16-10-17(4-6-20(16)40-22-11-24-33-15-35-38(24)12-18(22)29)36-27-25-19(32-14-34-27)5-7-21(39-3)26(25)41-23-8-9-37(2)13-28(23,30)31/h4-7,10-12,14-15,23H,8-9,13H2,1-3H3,(H,32,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM471608
PNG
(US10822334, Compound 20)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12
Show InChI InChI=1S/C29H29N7O2/c1-18-12-19(6-9-25(18)37-22-10-11-36-27(15-22)31-17-33-36)34-29-28-24(30-16-32-29)4-3-5-26(28)38-23-13-20-7-8-21(14-23)35(20)2/h3-6,9-12,15-17,20-21,23H,7-8,13-14H2,1-2H3,(H,30,32,34)/t20-,21+,23-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%