Found 230 hits of ic50 for UniProtKB: P00533 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
WIPO WO2022090481
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2765JH3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM112499
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
WIPO WO2022090481
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2765JH3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM199995
(US9670231, 1.3 | US9670231, 1.34)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H30F3N5O4/c1-38-10-12-39(13-11-38)16-18-3-2-17(14-22(18)31(32,33)34)30(41)37-27-26-21-15-19(4-6-23(21)43-28(26)27)42-24-8-9-35-29-20(24)5-7-25(40)36-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,37,41)(H,35,36,40)/t26-,27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200809
(US9670231, 2.6)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H31F3N6O4/c1-2-39-9-11-40(12-10-39)16-18-4-3-17(13-22(18)31(32,33)34)29(41)37-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)15-36-30(42)38-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,37,41)(H2,35,36,38,42)/t25-,26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0850 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM504403
(US11040984, Compound 3)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN199B |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM199967
(BDBM200762 | US9670231, 1.1)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200501
(US9670231, 1.29)Show SMILES C[C@H]1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CCN1 |r| Show InChI InChI=1S/C31H30F3N5O4/c1-16-14-39(11-10-35-16)15-18-3-2-17(12-22(18)31(32,33)34)30(41)38-27-26-21-13-19(4-6-23(21)43-28(26)27)42-24-8-9-36-29-20(24)5-7-25(40)37-29/h2-4,6,8-9,12-13,16,26-28,35H,5,7,10-11,14-15H2,1H3,(H,38,41)(H,36,37,40)/t16-,26-,27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200810
(US9670231, 2.7)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H29F3N6O4/c1-38-8-10-39(11-9-38)15-17-3-2-16(12-21(17)30(31,32)33)28(40)36-25-24-19-13-18(4-5-22(19)43-26(24)25)42-23-6-7-34-27-20(23)14-35-29(41)37-27/h2-7,12-13,24-26H,8-11,14-15H2,1H3,(H,36,40)(H2,34,35,37,41)/t24-,25-,26-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200497
(US9670231, 1.25)Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,32)14-9-13(10-15(11-14)28(29,30)31)26(37)35-23-22-18-12-16(3-5-19(18)39-24(22)23)38-20-7-8-33-25-17(20)4-6-21(36)34-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200336
(US9670231, 1.12)Show SMILES FC(F)(F)c1cc(ccc1CN1CCN2CCC[C@@H]2C1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C33H32F3N5O4/c34-33(35,36)24-14-18(3-4-19(24)16-40-12-13-41-11-1-2-20(41)17-40)32(43)39-29-28-23-15-21(5-7-25(23)45-30(28)29)44-26-9-10-37-31-22(26)6-8-27(42)38-31/h3-5,7,9-10,14-15,20,28-30H,1-2,6,8,11-13,16-17H2,(H,39,43)(H,37,38,42)/t20-,28+,29+,30+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200793
(US9670231, 1.74)Show SMILES CCN1CCC(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C33H33F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,16-18,28-30H,2,6,8,10-11,13-15H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200490
(US9670231, 1.22)Show SMILES CN1CCN(Cc2ccc(cc2Cl)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H30ClN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200491
(US9670231, 1.23)Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H30BrN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200548
(US9670231, 1.51)Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C31H29F3N4O5/c1-38-12-9-17(10-13-38)41-24-5-2-16(14-21(24)31(32,33)34)30(40)37-27-26-20-15-18(3-6-22(20)43-28(26)27)42-23-8-11-35-29-19(23)4-7-25(39)36-29/h2-3,5-6,8,11,14-15,17,26-28H,4,7,9-10,12-13H2,1H3,(H,37,40)(H,35,36,39)/t26-,27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200478
(US9670231, 1.18)Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H32ClN5O4/c1-2-36-11-13-37(14-12-36)17-19-4-3-18(15-23(19)32)31(39)35-28-27-22-16-20(5-7-24(22)41-29(27)28)40-25-9-10-33-30-21(25)6-8-26(38)34-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM199967
(BDBM200762 | US9670231, 1.1)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200795
(US9670231, 1.75)Show SMILES [#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1C(F)(F)F)-[#6](=O)-[#7]-[#6@@H]-1-[#6@H]-2-[#8]-c3ccc(-[#8]-c4ccnc5-[#7]-[#6](=O)-[#6]-[#6]-c45)cc3-[#6@@H]-1-2 |r| Show InChI InChI=1S/C33H31F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,15-17,28-30H,2,6,8,10-11,13-14H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200477
(US9670231, 1.17)Show SMILES OCCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O5/c33-32(34,35)23-15-18(1-2-19(23)17-40-11-9-39(10-12-40)13-14-41)31(43)38-28-27-22-16-20(3-5-24(22)45-29(27)28)44-25-7-8-36-30-21(25)4-6-26(42)37-30/h1-3,5,7-8,15-16,27-29,41H,4,6,9-14,17H2,(H,38,43)(H,36,37,42)/t27-,28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200487
(US9670231, 1.19)Show SMILES CCN1CCN(Cc2ccc(cc2Br)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H32BrN5O4/c1-2-36-11-13-37(14-12-36)17-19-4-3-18(15-23(19)32)31(39)35-28-27-22-16-20(5-7-24(22)41-29(27)28)40-25-9-10-33-30-21(25)6-8-26(38)34-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200488
(US9670231, 1.20)Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C33H34F3N5O4/c1-40(2)20-10-13-41(14-11-20)17-19-4-3-18(15-24(19)33(34,35)36)32(43)39-29-28-23-16-21(5-7-25(23)45-30(28)29)44-26-9-12-37-31-22(26)6-8-27(42)38-31/h3-5,7,9,12,15-16,20,28-30H,6,8,10-11,13-14,17H2,1-2H3,(H,39,43)(H,37,38,42)/t28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200489
(US9670231, 1.21)Show SMILES CN1CCN(Cc2ccc(cc2F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H30FN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200801
(US9670231, 2.2)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)OCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H28F3N5O5/c1-37-8-10-38(11-9-37)14-17-3-2-16(12-21(17)30(31,32)33)28(39)35-25-24-19-13-18(4-5-22(19)43-26(24)25)42-23-6-7-34-27-20(23)15-41-29(40)36-27/h2-7,12-13,24-26H,8-11,14-15H2,1H3,(H,35,39)(H,34,36,40)/t24-,25-,26-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200218
(US9670231, 1.9)Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)C1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)19-10-12-40(16-19)15-18-4-3-17(13-23(18)32(33,34)35)31(42)38-28-27-22-14-20(5-7-24(22)44-29(27)28)43-25-9-11-36-30-21(25)6-8-26(41)37-30/h3-5,7,9,11,13-14,19,27-29H,6,8,10,12,15-16H2,1-2H3,(H,38,42)(H,36,37,41)/t19-,27-,28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200630
(US9670231, 1.58)Show SMILES CN1CCN(Cc2ccc(cc2C)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H33N5O4/c1-18-15-19(3-4-20(18)17-36-13-11-35(2)12-14-36)31(38)34-28-27-23-16-21(5-7-24(23)40-29(27)28)39-25-9-10-32-30-22(25)6-8-26(37)33-30/h3-5,7,9-10,15-16,27-29H,6,8,11-14,17H2,1-2H3,(H,34,38)(H,32,33,37)/t27-,28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200499
(US9670231, 1.27)Show SMILES FC(F)(F)c1cc(ccc1CN1CCNCC1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C30H28F3N5O4/c31-30(32,33)21-13-16(1-2-17(21)15-38-11-9-34-10-12-38)29(40)37-26-25-20-14-18(3-5-22(20)42-27(25)26)41-23-7-8-35-28-19(23)4-6-24(39)36-28/h1-3,5,7-8,13-14,25-27,34H,4,6,9-12,15H2,(H,37,40)(H,35,36,39)/t25-,26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200584
(US9670231, 1.55)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)NC2C3Oc4c(cc(Oc5ccnc6NC(=O)CCc56)cc4C)C23)CC1 Show InChI InChI=1S/C33H34F3N5O4/c1-3-40-10-12-41(13-11-40)17-20-5-4-19(15-24(20)33(34,35)36)32(43)39-28-27-23-16-21(14-18(2)29(23)45-30(27)28)44-25-8-9-37-31-22(25)6-7-26(42)38-31/h4-5,8-9,14-16,27-28,30H,3,6-7,10-13,17H2,1-2H3,(H,39,43)(H,37,38,42) | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200800
(US9670231, 2.1)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)OCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H30F3N5O5/c1-2-38-9-11-39(12-10-38)15-18-4-3-17(13-22(18)31(32,33)34)29(40)36-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)16-42-30(41)37-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,36,40)(H,35,37,41)/t25-,26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200538
(US9670231, 1.47)Show SMILES CN(C)[C@H]1CCCN(C1)c1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)18-4-3-13-40(16-18)23-8-5-17(14-22(23)32(33,34)35)31(42)38-28-27-21-15-19(6-9-24(21)44-29(27)28)43-25-11-12-36-30-20(25)7-10-26(41)37-30/h5-6,8-9,11-12,14-15,18,27-29H,3-4,7,10,13,16H2,1-2H3,(H,38,42)(H,36,37,41)/t18-,27-,28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200600
(US9670231, 1.56)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)NC2C3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4C23)CC1 Show InChI InChI=1S/C31H30F3N5O4/c1-38-10-12-39(13-11-38)16-18-3-2-17(14-22(18)31(32,33)34)30(41)37-27-26-21-15-19(4-6-23(21)43-28(26)27)42-24-8-9-35-29-20(24)5-7-25(40)36-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,37,41)(H,35,36,40) | PDB
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| PC cid
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| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM50399676
(CHEMBL2178352 | US9096601, 8-26)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32) | PDB
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US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University
US Patent
| Assay Description
The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ... |
US Patent US9096601 (2015)
BindingDB Entry DOI: 10.7270/Q2NS0SNG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM173430
(US9096601, 8-4 | US9096601, 8-6)Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3F)C(=O)NN3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H30FN9O/c1-17(2)36-23-22(31-26(36)29-19-7-5-4-6-8-19)16-28-25(32-23)30-21-10-9-18(15-20(21)27)24(37)33-35-13-11-34(3)12-14-35/h4-10,15-17H,11-14H2,1-3H3,(H,29,31)(H,33,37)(H,28,30,32) | PDB
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| PC cid
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| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University
US Patent
| Assay Description
The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ... |
US Patent US9096601 (2015)
BindingDB Entry DOI: 10.7270/Q2NS0SNG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM173435
(US9096601, 8-9)Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)nc12 Show InChI InChI=1S/C27H32N8O/c1-18(2)35-24-23(32-27(35)31-20-7-5-4-6-8-20)17-28-26(33-24)30-21-11-9-19(10-12-21)25(36)29-22-13-15-34(3)16-14-22/h4-12,17-18,22H,13-16H2,1-3H3,(H,29,36)(H,31,32)(H,28,30,33) | PDB
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| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University
US Patent
| Assay Description
The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ... |
US Patent US9096601 (2015)
BindingDB Entry DOI: 10.7270/Q2NS0SNG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM494877
(US10994015, Example 11)Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY
US Patent
| Assay Description
All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A... |
US Patent US10994015 (2021)
BindingDB Entry DOI: 10.7270/Q2NS0Z1G |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200503
(US9670231, 1.31)Show SMILES CN(C)[C@@H]1CCCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)C1 |r| Show InChI InChI=1S/C33H34F3N5O4/c1-40(2)20-4-3-13-41(17-20)16-19-6-5-18(14-24(19)33(34,35)36)32(43)39-29-28-23-15-21(7-9-25(23)45-30(28)29)44-26-11-12-37-31-22(26)8-10-27(42)38-31/h5-7,9,11-12,14-15,20,28-30H,3-4,8,10,13,16-17H2,1-2H3,(H,39,43)(H,37,38,42)/t20-,28+,29+,30+/m1/s1 | PDB
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| US Patent
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(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
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US Patent
| n/a | n/a | 0.458 | n/a | n/a | n/a | n/a | n/a | n/a |
BETTA PHARMACEUTICALS CO., LTD.
US Patent
| Assay Description
Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×... |
US Patent US9783524 (2017)
BindingDB Entry DOI: 10.7270/Q2WS8WCB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM199996
(US9670231, 1.4)Show SMILES CCN1CCN(Cc2ccc(cc2F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H32FN5O4/c1-2-36-11-13-37(14-12-36)17-19-4-3-18(15-23(19)32)31(39)35-28-27-22-16-20(5-7-24(22)41-29(27)28)40-25-9-10-33-30-21(25)6-8-26(38)34-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1 | PDB
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| US Patent
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM149404
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35) | PDB
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| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
BETTA PHARMACEUTICALS CO., LTD.
US Patent
| Assay Description
TBD |
US Patent US10059688 (2018)
BindingDB Entry DOI: 10.7270/Q2PV6NDZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200502
(US9670231, 1.30)Show SMILES C[C@@H]1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CCN1 |r| Show InChI InChI=1S/C31H30F3N5O4/c1-16-14-39(11-10-35-16)15-18-3-2-17(12-22(18)31(32,33)34)30(41)38-27-26-21-13-19(4-6-23(21)43-28(26)27)42-24-8-9-36-29-20(24)5-7-25(40)37-29/h2-4,6,8-9,12-13,16,26-28,35H,5,7,10-11,14-15H2,1H3,(H,38,41)(H,36,37,40)/t16-,26+,27+,28+/m1/s1 | PDB
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| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200504
(US9670231, 1.32)Show SMILES CN(C)[C@@H]1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CCN1 |r| Show InChI InChI=1S/C32H33F3N6O4/c1-40(2)25-16-41(12-11-36-25)15-18-4-3-17(13-22(18)32(33,34)35)31(43)39-28-27-21-14-19(5-7-23(21)45-29(27)28)44-24-9-10-37-30-20(24)6-8-26(42)38-30/h3-5,7,9-10,13-14,25,27-29,36H,6,8,11-12,15-16H2,1-2H3,(H,39,43)(H,37,38,42)/t25-,27+,28+,29+/m1/s1 | PDB
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| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200807
(US9670231, 2.5)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc(N)c5)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C29H30F3N5O3/c1-2-36-9-11-37(12-10-36)16-18-4-3-17(13-22(18)29(30,31)32)28(38)35-26-25-21-14-19(5-6-23(21)40-27(25)26)39-20-7-8-34-24(33)15-20/h3-8,13-15,25-27H,2,9-12,16H2,1H3,(H2,33,34)(H,35,38)/t25-,26-,27-/m0/s1 | PDB
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| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200627
(US9670231, 1.57)Show SMILES CCN1CCN(Cc2ccc(cc2C)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H35N5O4/c1-3-36-12-14-37(15-13-36)18-21-5-4-20(16-19(21)2)32(39)35-29-28-24-17-22(6-8-25(24)41-30(28)29)40-26-10-11-33-31-23(26)7-9-27(38)34-31/h4-6,8,10-11,16-17,28-30H,3,7,9,12-15,18H2,1-2H3,(H,35,39)(H,33,34,38)/t28-,29-,30-/m0/s1 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200335
(US9670231, 1.11)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H31N5O4/c1-34-12-14-35(15-13-34)17-18-2-4-19(5-3-18)30(37)33-27-26-22-16-20(6-8-23(22)39-28(26)27)38-24-10-11-31-29-21(24)7-9-25(36)32-29/h2-6,8,10-11,16,26-28H,7,9,12-15,17H2,1H3,(H,33,37)(H,31,32,36)/t26-,27-,28-/m0/s1 | PDB
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| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM173463
(US9096601, 8-38)Show SMILES CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3cccc(NC(=O)C=C)c3)nc12 Show InChI InChI=1S/C23H23N7O/c1-4-20(31)25-17-11-8-12-18(13-17)26-22-24-14-19-21(29-22)30(15(2)3)23(28-19)27-16-9-6-5-7-10-16/h4-15H,1H2,2-3H3,(H,25,31)(H,27,28)(H,24,26,29) | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University
US Patent
| Assay Description
The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ... |
US Patent US9096601 (2015)
BindingDB Entry DOI: 10.7270/Q2NS0SNG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200219
(US9670231, 1.10)Show SMILES CN(C)[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)C1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)19-10-12-40(16-19)15-18-4-3-17(13-23(18)32(33,34)35)31(42)38-28-27-22-14-20(5-7-24(22)44-29(27)28)43-25-9-11-36-30-21(25)6-8-26(41)37-30/h3-5,7,9,11,13-14,19,27-29H,6,8,10,12,15-16H2,1-2H3,(H,38,42)(H,36,37,41)/t19-,27+,28+,29+/m1/s1 | PDB
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| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200799
(US9670231, 1.78)Show SMILES CCN1CCN(Cc2ccc(cc2OC(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O5/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-25(19)45-32(33,34)35)31(42)38-28-27-22-16-20(5-7-23(22)44-29(27)28)43-24-9-10-36-30-21(24)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1 | PDB
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| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200792
(US9670231, 1.73)Show SMILES CCN1CCN(Cc2ccc(cc2OC)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H35N5O5/c1-3-36-12-14-37(15-13-36)18-20-5-4-19(16-26(20)40-2)32(39)35-29-28-23-17-21(6-8-24(23)42-30(28)29)41-25-10-11-33-31-22(25)7-9-27(38)34-31/h4-6,8,10-11,16-17,28-30H,3,7,9,12-15,18H2,1-2H3,(H,35,39)(H,33,34,38)/t28-,29-,30-/m0/s1 | PDB
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| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200539
(US9670231, 1.48)Show SMILES CN(C)[C@@H]1CCCN(C1)c1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)18-4-3-13-40(16-18)23-8-5-17(14-22(23)32(33,34)35)31(42)38-28-27-21-15-19(6-9-24(21)44-29(27)28)43-25-11-12-36-30-20(25)7-10-26(41)37-30/h5-6,8-9,11-12,14-15,18,27-29H,3-4,7,10,13,16H2,1-2H3,(H,38,42)(H,36,37,41)/t18-,27+,28+,29+/m1/s1 | PDB
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| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM173428
(US9096601, 8-2)Show SMILES CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(cc3)C(=O)NN3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H29ClFN9O/c1-16(2)37-23-22(32-26(37)31-19-8-9-21(28)20(27)14-19)15-29-25(33-23)30-18-6-4-17(5-7-18)24(38)34-36-12-10-35(3)11-13-36/h4-9,14-16H,10-13H2,1-3H3,(H,31,32)(H,34,38)(H,29,30,33) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University
US Patent
| Assay Description
The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ... |
US Patent US9096601 (2015)
BindingDB Entry DOI: 10.7270/Q2NS0SNG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM200004
(US9670231, 1.5)Show SMILES CCN1CCN(Cc2cc(cc(c2)C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-9-11-40(12-10-39)17-18-13-19(15-20(14-18)32(33,34)35)31(42)38-28-27-23-16-21(3-5-24(23)44-29(27)28)43-25-7-8-36-30-22(25)4-6-26(41)37-30/h3,5,7-8,13-16,27-29H,2,4,6,9-12,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1 | PDB
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BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM173443
(US9096601, 8-17)Show SMILES COc1cccc(Nc2nc3cnc(Nc4ccc(cc4)N4CCN(C)CC4)nc3n2C(C)C)c1 Show InChI InChI=1S/C26H32N8O/c1-18(2)34-24-23(30-26(34)29-20-6-5-7-22(16-20)35-4)17-27-25(31-24)28-19-8-10-21(11-9-19)33-14-12-32(3)13-15-33/h5-11,16-18H,12-15H2,1-4H3,(H,29,30)(H,27,28,31) | PDB
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CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.; Sichuan University
US Patent
| Assay Description
The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method ... |
US Patent US9096601 (2015)
BindingDB Entry DOI: 10.7270/Q2NS0SNG |
More data for this
Ligand-Target Pair | |
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