Found 46 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 [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM537926
(US11248003, Example 1)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)S(C)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The inhibitory activity on a C797S-containing epidermal growth factor receptor (EGFR) kinase and an MET kinase was measured for compound 1 obtained i... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PWW |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM547941
(WO2022090481, Example I-162)Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCN2CCC[C@@H]2C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| WIPO WO2022090481
| n/a | n/a | 1.10 | 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 | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(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 | 1.60 | 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 [1-18,20-1210,C797S]
(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
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB WIPO WO2022090481
| n/a | n/a | 1.90 | 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 [1-18,20-1210,C797S]
(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
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB WIPO WO2022090481
| n/a | n/a | 2.5 | 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 [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM547965
(WO2022090481, Example I-186)Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCN(CC2CC2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| WIPO WO2022090481
| n/a | n/a | 2.60 | 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 | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB WIPO WO2022090481
| n/a | n/a | 3 | 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 [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM547940
(WO2022090481, Example I-161)Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCC(CC1)N1CCN(C)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| WIPO WO2022090481
| n/a | n/a | 3 | 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 | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM547983
(WO2022090481, Example I-204)Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1CCCCC1)N1CCN(C)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| WIPO WO2022090481
| n/a | n/a | 3.5 | 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 | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM547807
(WO2022090481, Example I-022 | WO2022090481, Exampl...)Show SMILES COCCN1CCN(CC1)c1nc2c(nc(cc2n1C)-n1ncc2c(C)nc(cc12)-c1cnccc1OC)N1C[C@H]2C[C@@H]1CO2 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| WIPO WO2022090481
| n/a | n/a | 5 | 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 | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625598
(US20230322822, Compound 14)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(Cl)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM547888
(WO2022090481, Example I-107)Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| WIPO WO2022090481
| n/a | n/a | 7.07 | 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 | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625597
(US20230322822, Compound 12)Show SMILES CCc1cc(Nc2ncc(Br)c(Nc3ccc(C)cc3P(C)(C)=O)n2)c(OC)cc1N1CCC(CC1)N1CCN(C)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625600
(US20230322822, Compound 32)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(Br)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625596
(US20230322822, Compound 11)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(F)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 10.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625592
(US20230322822, Compound 2)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 13.8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625591
(US20230322822, Compound 1)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 19.8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625597
(US20230322822, Compound 12)Show SMILES CCc1cc(Nc2ncc(Br)c(Nc3ccc(C)cc3P(C)(C)=O)n2)c(OC)cc1N1CCC(CC1)N1CCN(C)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 29.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625594
(US20230322822, Compound 6)Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 33.8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625591
(US20230322822, Compound 1)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 39.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625599
(US20230322822, Compound 24)Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cc(OC(F)F)c(Nc2ncc(Br)c(Nc3ccc(C)cc3P(C)(C)=O)n2)cc1C | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 41.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625599
(US20230322822, Compound 24)Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cc(OC(F)F)c(Nc2ncc(Br)c(Nc3ccc(C)cc3P(C)(C)=O)n2)cc1C | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 41.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625595
(US20230322822, Compound 9)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2cc(C)ccc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 41.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625598
(US20230322822, Compound 14)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(Cl)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 43.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625592
(US20230322822, Compound 2)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 48.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625593
(US20230322822, Compound 5)Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625594
(US20230322822, Compound 6)Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625600
(US20230322822, Compound 32)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(Br)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 51.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625610
(US20230322822, Compound 30)Show SMILES COc1cc(N2CCC(CC2)N2CCOCC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 55.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625609
(US20230322822, Compound 29)Show SMILES COc1cc(N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 57.8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625605
(US20230322822, Compound 13)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1)C(C)C | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 60.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625596
(US20230322822, Compound 11)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(F)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 66.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625593
(US20230322822, Compound 5)Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 73.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625606
(US20230322822, Compound 23)Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cc(OCC(F)(F)F)c(Nc2ncc(Br)c(Nc3ccc(C)cc3P(C)(C)=O)n2)cc1C | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 79.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625604
(US20230322822, Compound 4)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(C)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 80.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625608
(US20230322822, Compound 28)Show SMILES COc1cc(N2CCOCC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 85.2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM50185235
(CHEMBL3823836 | US20230322822, Control compound 2)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C30H41ClN7O2P/c1-21-18-25(27(40-3)19-26(21)38-12-10-22(11-13-38)37-16-14-36(2)15-17-37)34-30-32-20-23(31)29(35-30)33-24-8-6-7-9-28(24)41(4,5)39/h6-9,18-20,22H,10-17H2,1-5H3,(H2,32,33,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM50185140
(AP-26113 | Brigatinib | US11248003, Example Brigat...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625601
(US20230322822, Control compound 1)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cccc(C)c2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625603
(US20230322822, Control compound 3)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(C)cc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625601
(US20230322822, Control compound 1)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cccc(C)c2P(C)(C)=O)n1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | >250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM625603
(US20230322822, Control compound 3)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(C)cc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | >250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM50185235
(CHEMBL3823836 | US20230322822, Control compound 2)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C30H41ClN7O2P/c1-21-18-25(27(40-3)19-26(21)38-12-10-22(11-13-38)37-16-14-36(2)15-17-37)34-30-32-20-23(31)29(35-30)33-24-8-6-7-9-28(24)41(4,5)39/h6-9,18-20,22H,10-17H2,1-5H3,(H2,32,33,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | >250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM50029668
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB
| n/a | n/a | 513 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM50029668
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
UniProtKB/SwissProt
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DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB WIPO WO2022090481
| n/a | n/a | 626 | 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 [1-18,20-1210,C797S]
(Homo sapiens (Human)) | BDBM50160870
(CHEMBL3787344 | US11896597, Compound EGF816 | WO20...)Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 |r| Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| WIPO WO2022090481
| n/a | n/a | 745 | 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 | |