Found 25 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330230
(1-(4-(((1S)-2-Hydroxy-1-phenylethyl)amino)-5,6,7,8...)Show SMILES OC[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)C=C)c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O2S/c1-2-17(26)24-9-8-14-16(10-24)27-20-18(14)19(21-12-22-20)23-15(11-25)13-6-4-3-5-7-13/h2-7,12,15,25H,1,8-11H2,(H,21,22,23)/t15-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330238
((E)-4-(Diethylamino)-1-(4-(((1R)-2-hydroxy-1-pheny...)Show SMILES CCN(CC)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(N[C@H](CO)c3ccccc3)c21 |r| Show InChI InChI=1S/C25H31N5O2S/c1-3-29(4-2)13-8-11-22(32)30-14-12-19-21(15-30)33-25-23(19)24(26-17-27-25)28-20(16-31)18-9-6-5-7-10-18/h5-11,17,20,31H,3-4,12-16H2,1-2H3,(H,26,27,28)/b11-8+/t20-/m1/s1 | PDB
MMDB
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PC sid
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| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330242
((E)-4-(Dimethylamino)-1-(4-[(1S)-1-phenylpropyl]am...)Show SMILES CC[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)\C=C\CN(C)C)c1ccccc1 |r| Show InChI InChI=1S/C24H29N5OS/c1-4-19(17-9-6-5-7-10-17)27-23-22-18-12-14-29(21(30)11-8-13-28(2)3)15-20(18)31-24(22)26-16-25-23/h5-11,16,19H,4,12-15H2,1-3H3,(H,25,26,27)/b11-8+/t19-/m1/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330241
((E)-4-(Dimethylamino)-1-(4-[(1R)-1-phenylethyl]ami...)Show SMILES C[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)\C=C\CN(C)C)c1ccccc1 |r| Show InChI InChI=1S/C23H27N5OS/c1-16(17-8-5-4-6-9-17)26-22-21-18-11-13-28(20(29)10-7-12-27(2)3)14-19(18)30-23(21)25-15-24-22/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26)/b10-7+/t16-/m1/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330234
(1-(4-[(1R)-1-Phenylethyl]amino-5,6,7,8-tetrahydrop...)Show SMILES C[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)C=C)c1ccccc1 |r| Show InChI InChI=1S/C20H20N4OS/c1-3-17(25)24-10-9-15-16(11-24)26-20-18(15)19(21-12-22-20)23-13(2)14-7-5-4-6-8-14/h3-8,12-13H,1,9-11H2,2H3,(H,21,22,23)/t13-/m1/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(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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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330239
((E)-1-(4-[(1R)-2-Hydroxy-1-phenylethyl]amino-5,6,7...)Show SMILES OC[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)\C=C\CN1CCOCC1)c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O3S/c31-16-20(18-5-2-1-3-6-18)28-24-23-19-8-10-30(15-21(19)34-25(23)27-17-26-24)22(32)7-4-9-29-11-13-33-14-12-29/h1-7,17,20,31H,8-16H2,(H,26,27,28)/b7-4+/t20-/m1/s1 | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330235
(1-(4-[(1R)-1-Phenylpropyl]amino-5,6,7,8-tetrahydro...)Show SMILES CC[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)C=C)c1ccccc1 |r| Show InChI InChI=1S/C21H22N4OS/c1-3-16(14-8-6-5-7-9-14)24-20-19-15-10-11-25(18(26)4-2)12-17(15)27-21(19)23-13-22-20/h4-9,13,16H,2-3,10-12H2,1H3,(H,22,23,24)/t16-/m1/s1 | PDB
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PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330237
((E)-4-(Dimethylamino)-1-(4-[(1S)-2-hydroxy-1-pheny...)Show SMILES CN(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(N[C@H](CO)c3ccccc3)c21 |r| Show InChI InChI=1S/C23H27N5O2S/c1-27(2)11-6-9-20(30)28-12-10-17-19(13-28)31-23-21(17)22(24-15-25-23)26-18(14-29)16-7-4-3-5-8-16/h3-9,15,18,29H,10-14H2,1-2H3,(H,24,25,26)/b9-6+/t18-/m1/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330240
((E)-1-(4-[(1S)-2-Hydroxy-1-phenylethyl]amino-5,6,7...)Show SMILES CN1CCN(C\C=C\C(=O)N2CCc3c(C2)sc2ncnc(N[C@H](CO)c4ccccc4)c32)CC1 |r| Show InChI InChI=1S/C26H32N6O2S/c1-30-12-14-31(15-13-30)10-5-8-23(34)32-11-9-20-22(16-32)35-26-24(20)25(27-18-28-26)29-21(17-33)19-6-3-2-4-7-19/h2-8,18,21,33H,9-17H2,1H3,(H,27,28,29)/b8-5+/t21-/m1/s1 | PDB
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PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330232
((2S)-2-Phenyl-2-[7-(vinylsulfonyl)-5,6,7,8-tetrahy...)Show SMILES OC[C@@H](Nc1ncnc2sc3CN(CCc3c12)S(=O)(=O)C=C)c1ccccc1 |r| Show InChI InChI=1S/C19H20N4O3S2/c1-2-28(25,26)23-9-8-14-16(10-23)27-19-17(14)18(20-12-21-19)22-15(11-24)13-6-4-3-5-7-13/h2-7,12,15,24H,1,8-11H2,(H,20,21,22)/t15-/m1/s1 | PDB
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PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330243
((E)-1-(4-[(1R)-1-Benzyl-2-hydroxyethyl]amino-5,6,7...)Show SMILES CN(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(N[C@H](CO)Cc3ccccc3)c21 |r| Show InChI InChI=1S/C24H29N5O2S/c1-28(2)11-6-9-21(31)29-12-10-19-20(14-29)32-24-22(19)23(25-16-26-24)27-18(15-30)13-17-7-4-3-5-8-17/h3-9,16,18,30H,10-15H2,1-2H3,(H,25,26,27)/b9-6+/t18-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322820
(CHEMBL1172781 | S-2-(5,6-Diphenylfuro[2,3-d]pyrimi...)Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H21N3O2/c30-16-21(18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)/t21-/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330224
((2S)-2-Phenyl-2-(5,6,7,8-tetrahydrobenzo[4,5]thien...)Show InChI InChI=1S/C18H19N3OS/c22-10-14(12-6-2-1-3-7-12)21-17-16-13-8-4-5-9-15(13)23-18(16)20-11-19-17/h1-3,6-7,11,14,22H,4-5,8-10H2,(H,19,20,21)/t14-/m1/s1 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330228
((2S)-2-(6,7-Dihydro-5H-cyclopenta[4,5]thieno[2,3-d...)Show InChI InChI=1S/C17H17N3OS/c21-9-13(11-5-2-1-3-6-11)20-16-15-12-7-4-8-14(12)22-17(15)19-10-18-16/h1-3,5-6,10,13,21H,4,7-9H2,(H,18,19,20)/t13-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330231
(1-(4-[(1S)-2-Hydroxy-1-phenylethyl]amino-5,6,7,8-t...)Show SMILES CC#CC(=O)N1CCc2c(C1)sc1ncnc(N[C@H](CO)c3ccccc3)c21 |r| Show InChI InChI=1S/C21H20N4O2S/c1-2-6-18(27)25-10-9-15-17(11-25)28-21-19(15)20(22-13-23-21)24-16(12-26)14-7-4-3-5-8-14/h3-5,7-8,13,16,26H,9-12H2,1H3,(H,22,23,24)/t16-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330233
(1-(4-[(1R)-2-Hydroxy-1-phenylethyl]amino-5,6,7,8-t...)Show SMILES OC[C@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)C=C)c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O2S/c1-2-17(26)24-9-8-14-16(10-24)27-20-18(14)19(21-12-22-20)23-15(11-25)13-6-4-3-5-7-13/h2-7,12,15,25H,1,8-11H2,(H,21,22,23)/t15-/m0/s1 | PDB
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PubMed
| n/a | n/a | 3.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330225
(CHEMBL1272004 | N-[(1R)-1-Phenylethyl]-N-(5,6,7,8-...)Show InChI InChI=1S/C18H19N3S/c1-12(13-7-3-2-4-8-13)21-17-16-14-9-5-6-10-15(14)22-18(16)20-11-19-17/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,19,20,21)/t12-/m1/s1 | PDB
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CHEMBL
PC cid
PC sid
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PubMed
| n/a | n/a | >3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330236
((E)-1-(4-[(1S)-2-Hydroxy-1-phenylethyl]amino-5,6,7...)Show SMILES OC[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)\C=C\c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H24N4O2S/c31-16-21(19-9-5-2-6-10-19)29-25-24-20-13-14-30(15-22(20)33-26(24)28-17-27-25)23(32)12-11-18-7-3-1-4-8-18/h1-12,17,21,31H,13-16H2,(H,27,28,29)/b12-11+/t21-/m1/s1 | PDB
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PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330244
((E)-4-(Dimethylamino)-1-4-[(2-hydroxyethyl)amino]-...)Show SMILES CN(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(NCCO)c21 Show InChI InChI=1S/C17H23N5O2S/c1-21(2)7-3-4-14(24)22-8-5-12-13(10-22)25-17-15(12)16(18-6-9-23)19-11-20-17/h3-4,11,23H,5-10H2,1-2H3,(H,18,19,20)/b4-3+ | PDB
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PubMed
| n/a | n/a | 4.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330227
((2R)-2-Phenyl-2-(5,6,7,8-tetrahydrobenzo[4,5]thien...)Show InChI InChI=1S/C18H19N3OS/c22-10-14(12-6-2-1-3-7-12)21-17-16-13-8-4-5-9-15(13)23-18(16)20-11-19-17/h1-3,6-7,11,14,22H,4-5,8-10H2,(H,19,20,21)/t14-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR at 20 uM |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330226
(2-(5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimi...)Show InChI InChI=1S/C12H15N3OS/c16-6-5-13-11-10-8-3-1-2-4-9(8)17-12(10)15-7-14-11/h7,16H,1-6H2,(H,13,14,15) | PDB
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PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR at 20 uM |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330246
((E)-4-(Dimethylamino)-1-(4-[(1R)-2-hydroxy-1-pheny...)Show SMILES CN(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(N[C@@H](CO)c3ccccc3)c21 |r| Show InChI InChI=1S/C23H27N5O2S/c1-27(2)11-6-9-20(30)28-12-10-17-19(13-28)31-23-21(17)22(24-15-25-23)26-18(14-29)16-7-4-3-5-8-16/h3-9,15,18,29H,10-14H2,1-2H3,(H,24,25,26)/b9-6+/t18-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR at 20 uM |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330245
(1-(4-[(1S)-2-Hydroxy-1-phenylethyl]amino-5,6,7,8-t...)Show SMILES CCC(=O)N1CCc2c(C1)sc1ncnc(N[C@H](CO)c3ccccc3)c21 |r| Show InChI InChI=1S/C20H22N4O2S/c1-2-17(26)24-9-8-14-16(10-24)27-20-18(14)19(21-12-22-20)23-15(11-25)13-6-4-3-5-7-13/h3-7,12,15,25H,2,8-11H2,1H3,(H,21,22,23)/t15-/m1/s1 | PDB
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PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR at 20 uM |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330229
((S)-2-Phenyl-2-(5,6,7,8-tetrahydro-pyrido[4',3':4,...)Show InChI InChI=1S/C17H18N4OS/c22-9-13(11-4-2-1-3-5-11)21-16-15-12-6-7-18-8-14(12)23-17(15)20-10-19-16/h1-5,10,13,18,22H,6-9H2,(H,19,20,21)/t13-/m1/s1 | PDB
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PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR at 20 uM |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
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