Found 50 hits with Last Name = 'fang' and Initial = 'my' 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)) | BDBM50322822
((S)-N-(3-(4-(2-hydroxy-1-phenylethylamino)-6-pheny...)Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H24N4O3/c1-2-24(35)32-22-15-9-14-21(16-22)25-26-28(33-23(17-34)19-10-5-3-6-11-19)30-18-31-29(26)36-27(25)20-12-7-4-8-13-20/h2-16,18,23,34H,1,17H2,(H,32,35)(H,30,31,33)/t23-/m1/s1 | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
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
MMDB
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UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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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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| CHEMBL
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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)) | 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
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PDB
Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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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PubMed
| 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)) | 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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| Article
PubMed
| 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 | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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NCI pathway
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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 Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 GST-tagged EGFR expressed in Escherichia coli |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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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| CHEMBL
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PC sid
UniChem
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| 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 | |
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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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
MMDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 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 | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322816
(1-{4-[2-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamin...)Show SMILES O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C33H27N5O2/c39-33(37-26-14-8-3-9-15-26)38-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)40-32(29)36-22-35-31/h1-19,22H,20-21H2,(H,34,35,36)(H2,37,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC cid
PC sid
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
MMDB
KEGG
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DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
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
MMDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 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)) | BDBM50322821
((S)-N-(4-(4-(2-hydroxy-1-phenylethylamino)-6-pheny...)Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3ccc(NC(=O)C=C)cc3)c12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H24N4O3/c1-2-24(35)32-22-15-13-20(14-16-22)25-26-28(33-23(17-34)19-9-5-3-6-10-19)30-18-31-29(26)36-27(25)21-11-7-4-8-12-21/h2-16,18,23,34H,1,17H2,(H,32,35)(H,30,31,33)/t23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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)) | 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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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 GST-tagged EGFR expressed in Escherichia coli |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322805
((5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)-[2-(1H-imi...)Show SMILES C(Cc1cnc[nH]1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C23H19N5O/c1-3-7-16(8-4-1)19-20-22(25-12-11-18-13-24-14-26-18)27-15-28-23(20)29-21(19)17-9-5-2-6-10-17/h1-10,13-15H,11-12H2,(H,24,26)(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322817
(CHEMBL1173801 | N-{4-[2-(5,6-Diphenylfuro[2,3-d]py...)Show SMILES O=C(Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C33H26N4O2/c38-32(26-14-8-3-9-15-26)37-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)39-33(29)36-22-35-31/h1-19,22H,20-21H2,(H,37,38)(H,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 304 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM14800
(2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-et...)Show InChI InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322812
(4-(3,5-Dimethylpiperazin-1-yl)-5,6-diphenylfuro[2,...)Show SMILES CC1CN(CC(C)N1)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C24H24N4O/c1-16-13-28(14-17(2)27-16)23-21-20(18-9-5-3-6-10-18)22(19-11-7-4-8-12-19)29-24(21)26-15-25-23/h3-12,15-17,27H,13-14H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 334 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322810
((5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)-(2-pyridin...)Show SMILES C(Cc1ccccn1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C25H20N4O/c1-3-9-18(10-4-1)21-22-24(27-16-14-20-13-7-8-15-26-20)28-17-29-25(22)30-23(21)19-11-5-2-6-12-19/h1-13,15,17H,14,16H2,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 535 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322807
(CHEMBL1173151 | [2-(4-Aminophenyl)ethyl]-(5,6-diph...)Show SMILES Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C26H22N4O/c27-21-13-11-18(12-14-21)15-16-28-25-23-22(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)31-26(23)30-17-29-25/h1-14,17H,15-16,27H2,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322813
(4-[2-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamino)e...)Show SMILES Oc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C26H21N3O2/c30-21-13-11-18(12-14-21)15-16-27-25-23-22(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)31-26(23)29-17-28-25/h1-14,17,30H,15-16H2,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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 | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322809
(2-[2-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamino)e...)Show InChI InChI=1S/C22H21N3O3/c26-12-14-27-13-11-23-21-19-18(16-7-3-1-4-8-16)20(17-9-5-2-6-10-17)28-22(19)25-15-24-21/h1-10,15,26H,11-14H2,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322808
(CHEMBL1173152 | S-2-(5,6-Diphenylfuro[2,3-d]pyrimi...)Show SMILES C[C@@H](CO)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 |r| Show InChI InChI=1S/C21H19N3O2/c1-14(12-25)24-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-13-22-20/h2-11,13-14,25H,12H2,1H3,(H,22,23,24)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 792 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322806
(3-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamino)prop...)Show SMILES CCOC(=O)CCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C23H21N3O3/c1-2-28-18(27)13-14-24-22-20-19(16-9-5-3-6-10-16)21(17-11-7-4-8-12-17)29-23(20)26-15-25-22/h3-12,15H,2,13-14H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 796 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322803
(1-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin...)Show SMILES OC1CCN(CC1)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C23H21N3O2/c27-18-11-13-26(14-12-18)22-20-19(16-7-3-1-4-8-16)21(17-9-5-2-6-10-17)28-23(20)25-15-24-22/h1-10,15,18,27H,11-14H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 807 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322811
((2,5-Dimethoxy-2,5-dihydrofuran-2-ylmethyl)-(5,6-d...)Show SMILES COC1OC(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)(OC)C=C1 |c:34| Show InChI InChI=1S/C25H23N3O4/c1-29-19-13-14-25(30-2,32-19)15-26-23-21-20(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)31-24(21)28-16-27-23/h3-14,16,19H,15H2,1-2H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 827 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322815
((4-Aminobenzyl)-(5,6-diphenylfuro[2,3-d]pyrimidin-...)Show SMILES Nc1ccc(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20N4O/c26-20-13-11-17(12-14-20)15-27-24-22-21(18-7-3-1-4-8-18)23(19-9-5-2-6-10-19)30-25(22)29-16-28-24/h1-14,16H,15,26H2,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 945 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322814
(1-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamino)prop...)Show SMILES C[C@@H](O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 |r| Show InChI InChI=1S/C21H19N3O2/c1-14(25)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)24-13-23-20/h2-11,13-14,25H,12H2,1H3,(H,22,23,24)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 973 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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 | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322804
((5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)-(2-morphol...)Show SMILES C(CN1CCOCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c1-3-7-18(8-4-1)20-21-23(25-11-12-28-13-15-29-16-14-28)26-17-27-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,25,26,27) | PDB
MMDB
NCI pathway
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CHEMBL
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| Article
PubMed
| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
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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| CHEMBL
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UniChem
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| Article
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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| 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 | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322802
((5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)-(3-imidazo...)Show SMILES C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Cn1ccnc1 Show InChI InChI=1S/C24H21N5O/c1-3-8-18(9-4-1)20-21-23(26-12-7-14-29-15-13-25-17-29)27-16-28-24(21)30-22(20)19-10-5-2-6-11-19/h1-6,8-11,13,15-17H,7,12,14H2,(H,26,27,28) | PDB
MMDB
NCI pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
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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UniChem
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| Article
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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| CHEMBL
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PC sid
UniChem
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| Article
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 | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322818
(CHEMBL1173465 | N-{4-[2-(5,6-Diphenylfuro[2,3-d]py...)Show SMILES O=S(=O)(Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C32H26N4O3S/c37-40(38,27-14-8-3-9-15-27)36-26-18-16-23(17-19-26)20-21-33-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)39-32(29)35-22-34-31/h1-19,22,36H,20-21H2,(H,33,34,35) | PDB
MMDB
NCI pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50322819
(3-(5,6-diphenylfuro[2,3-d]pyrimidin-4-ylamino)-N-p...)Show SMILES O=C(CCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Nc1ccccc1 Show InChI InChI=1S/C27H22N4O2/c32-22(31-21-14-8-3-9-15-21)16-17-28-26-24-23(19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)33-27(24)30-18-29-26/h1-15,18H,16-17H2,(H,31,32)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A |
J Med Chem 53: 4980-8 (2010)
Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87 |
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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| CHEMBL
PC cid
PC sid
UniChem
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| Article
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)) | 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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PC sid
UniChem
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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)) | 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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| CHEMBL
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PC sid
UniChem
Patents
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| Article
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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PC cid
PC sid
UniChem
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| Article
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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