Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50039748 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)) | BDBM50383292
(CHEMBL2029438)Show SMILES COc1cc(ccc1Nc1ncc2CN(Cc3ccccc3)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C34H36N8O3/c1-4-31(43)36-26-11-8-12-28(19-26)42-32-25(23-41(34(42)44)22-24-9-6-5-7-10-24)21-35-33(38-32)37-29-14-13-27(20-30(29)45-3)40-17-15-39(2)16-18-40/h4-14,19-21H,1,15-18,22-23H2,2-3H3,(H,36,43)(H,35,37,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383290
(CHEMBL2029436)Show SMILES COc1cc(ccc1Nc1ncc2CN(C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)c1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C33H34N8O3/c1-4-30(42)35-24-9-8-12-27(19-24)41-31-23(22-40(33(41)43)25-10-6-5-7-11-25)21-34-32(37-31)36-28-14-13-26(20-29(28)44-3)39-17-15-38(2)16-18-39/h4-14,19-21H,1,15-18,22H2,2-3H3,(H,35,42)(H,34,36,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383289
(CHEMBL2029434)Show SMILES COc1cc(ccc1Nc1ncc2CN(C(C)C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C30H36N8O3/c1-6-27(39)32-22-8-7-9-24(16-22)38-28-21(19-37(20(2)3)30(38)40)18-31-29(34-28)33-25-11-10-23(17-26(25)41-5)36-14-12-35(4)13-15-36/h6-11,16-18,20H,1,12-15,19H2,2-5H3,(H,32,39)(H,31,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383284
(CHEMBL2029429)Show SMILES COc1cc(Nc2ncc3CN(C)C(=O)N(c4cccc(NC(=O)C=C)c4)c3n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C28H32N8O3/c1-5-25(37)30-20-7-6-8-22(15-20)36-26-19(18-34(3)28(36)38)17-29-27(32-26)31-21-9-10-23(24(16-21)39-4)35-13-11-33(2)12-14-35/h5-10,15-17H,1,11-14,18H2,2-4H3,(H,30,37)(H,29,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383283
(CHEMBL2029428)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CN(C)C(=O)N(c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C27H30N8O2/c1-4-24(36)29-21-6-5-7-23(16-21)35-25-19(18-33(3)27(35)37)17-28-26(31-25)30-20-8-10-22(11-9-20)34-14-12-32(2)13-15-34/h4-11,16-17H,1,12-15,18H2,2-3H3,(H,29,36)(H,28,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383273
(CHEMBL2029435)Show SMILES COc1cc(ccc1Nc1ncc2CN(C3CC3)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C30H34N8O3/c1-4-27(39)32-21-6-5-7-24(16-21)38-28-20(19-37(30(38)40)22-8-9-22)18-31-29(34-28)33-25-11-10-23(17-26(25)41-3)36-14-12-35(2)13-15-36/h4-7,10-11,16-18,22H,1,8-9,12-15,19H2,2-3H3,(H,32,39)(H,31,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383291
(CHEMBL2029437)Show SMILES COc1cc(ccc1Nc1ncc2CN(C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)c1ccc2ccccc2c1)N1CCN(C)CC1 Show InChI InChI=1S/C37H36N8O3/c1-4-34(46)39-28-10-7-11-31(21-28)45-35-27(24-44(37(45)47)30-13-12-25-8-5-6-9-26(25)20-30)23-38-36(41-35)40-32-15-14-29(22-33(32)48-3)43-18-16-42(2)17-19-43/h4-15,20-23H,1,16-19,24H2,2-3H3,(H,39,46)(H,38,40,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383275
(CHEMBL2032376)Show SMILES COc1cc(ccc1Nc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H32N8O3/c1-5-25(37)30-20-7-6-8-22(15-20)36-26-19(18-34(3)28(36)38)17-29-27(32-26)31-23-10-9-21(16-24(23)39-4)35-13-11-33(2)12-14-35/h5-10,15-17H,1,11-14,18H2,2-4H3,(H,30,37)(H,29,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.16 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383293
(CHEMBL2029439)Show SMILES COc1cc(ccc1Nc1ncc2CN(C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)c1ccc(cc1)-c1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C39H38N8O3/c1-4-36(48)41-30-11-8-12-33(23-30)47-37-29(26-46(39(47)49)31-15-13-28(14-16-31)27-9-6-5-7-10-27)25-40-38(43-37)42-34-18-17-32(24-35(34)50-3)45-21-19-44(2)20-22-45/h4-18,23-25H,1,19-22,26H2,2-3H3,(H,41,48)(H,40,42,43) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.41 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383279
(CHEMBL2032380)Show SMILES COc1cc(ccc1Nc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCCN(C)CC1 Show InChI InChI=1S/C29H34N8O3/c1-5-26(38)31-21-8-6-9-23(16-21)37-27-20(19-35(3)29(37)39)18-30-28(33-27)32-24-11-10-22(17-25(24)40-4)36-13-7-12-34(2)14-15-36/h5-6,8-11,16-18H,1,7,12-15,19H2,2-4H3,(H,31,38)(H,30,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.47 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383294
(CHEMBL2029440)Show SMILES COc1cc(ccc1Nc1ncc2CN(C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)c1ccc(Oc2ccccc2)cc1)N1CCN(C)CC1 Show InChI InChI=1S/C39H38N8O4/c1-4-36(48)41-28-9-8-10-31(23-28)47-37-27(26-46(39(47)49)29-13-16-33(17-14-29)51-32-11-6-5-7-12-32)25-40-38(43-37)42-34-18-15-30(24-35(34)50-3)45-21-19-44(2)20-22-45/h4-18,23-25H,1,19-22,26H2,2-3H3,(H,41,48)(H,40,42,43) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.52 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383295
(CHEMBL2029441)Show SMILES COc1cc(ccc1Nc1ncc2CN(C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)c1ccc(OCc2ccccc2)cc1)N1CCN(C)CC1 Show InChI InChI=1S/C40H40N8O4/c1-4-37(49)42-30-11-8-12-33(23-30)48-38-29(26-47(40(48)50)31-13-16-34(17-14-31)52-27-28-9-6-5-7-10-28)25-41-39(44-38)43-35-18-15-32(24-36(35)51-3)46-21-19-45(2)20-22-46/h4-18,23-25H,1,19-22,26-27H2,2-3H3,(H,42,49)(H,41,43,44) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.67 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383287
(CHEMBL2029432)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CN(C)C(=O)N(c4cccc(NC(=O)C=C)c4)c3n2)c(C)c1 Show InChI InChI=1S/C28H32N8O2/c1-5-25(37)30-21-7-6-8-23(16-21)36-26-20(18-34(4)28(36)38)17-29-27(32-26)31-24-10-9-22(15-19(24)2)35-13-11-33(3)12-14-35/h5-10,15-17H,1,11-14,18H2,2-4H3,(H,30,37)(H,29,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.95 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383280
(CHEMBL2029425)Show SMILES COc1cc(ccc1Nc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C30H36N8O3/c1-6-27(39)32-21-8-7-9-24(16-21)38-28-20(19-36(4)30(38)40)18-31-29(34-28)33-25-11-10-23(17-26(25)41-5)37-14-12-22(13-15-37)35(2)3/h6-11,16-18,22H,1,12-15,19H2,2-5H3,(H,32,39)(H,31,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.52 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383285
(CHEMBL2029430)Show SMILES CCOc1cc(ccc1Nc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H34N8O3/c1-5-26(38)31-21-8-7-9-23(16-21)37-27-20(19-35(4)29(37)39)18-30-28(33-27)32-24-11-10-22(17-25(24)40-6-2)36-14-12-34(3)13-15-36/h5,7-11,16-18H,1,6,12-15,19H2,2-4H3,(H,31,38)(H,30,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.41 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383276
(CHEMBL2032377)Show SMILES COc1cc(ccc1Nc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N(C)C Show InChI InChI=1S/C25H27N7O3/c1-6-22(33)27-17-8-7-9-19(12-17)32-23-16(15-31(4)25(32)34)14-26-24(29-23)28-20-11-10-18(30(2)3)13-21(20)35-5/h6-14H,1,15H2,2-5H3,(H,27,33)(H,26,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.99 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 6.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383281
(CHEMBL2029426)Show SMILES CN1Cc2cnc(Nc3ccccc3)nc2N(C1=O)c1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H20N6O2/c1-3-19(29)24-17-10-7-11-18(12-17)28-20-15(14-27(2)22(28)30)13-23-21(26-20)25-16-8-5-4-6-9-16/h3-13H,1,14H2,2H3,(H,24,29)(H,23,25,26) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6.95 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383286
(CHEMBL2029431)Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C30H36N8O3/c1-6-27(39)32-22-8-7-9-24(16-22)38-28-21(19-36(5)30(38)40)18-31-29(34-28)33-25-11-10-23(17-26(25)41-20(2)3)37-14-12-35(4)13-15-37/h6-11,16-18,20H,1,12-15,19H2,2-5H3,(H,32,39)(H,31,33,34) | PDB
MMDB
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.81 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383278
(CHEMBL2032379)Show SMILES COc1cc(ccc1Nc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCOCC1 Show InChI InChI=1S/C27H29N7O4/c1-4-24(35)29-19-6-5-7-21(14-19)34-25-18(17-32(2)27(34)36)16-28-26(31-25)30-22-9-8-20(15-23(22)37-3)33-10-12-38-13-11-33/h4-9,14-16H,1,10-13,17H2,2-3H3,(H,29,35)(H,28,30,31) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 16.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383277
(CHEMBL2032378)Show SMILES COc1cc(ccc1Nc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCCCC1 Show InChI InChI=1S/C28H31N7O3/c1-4-25(36)30-20-9-8-10-22(15-20)35-26-19(18-33(2)28(35)37)17-29-27(32-26)31-23-12-11-21(16-24(23)38-3)34-13-6-5-7-14-34/h4,8-12,15-17H,1,5-7,13-14,18H2,2-3H3,(H,30,36)(H,29,31,32) | PDB
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UniChem
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PubMed
| n/a | n/a | 29.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383282
(CHEMBL2029427)Show SMILES CNc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1 Show InChI InChI=1S/C17H18N6O2/c1-4-14(24)20-12-6-5-7-13(8-12)23-15-11(10-22(3)17(23)25)9-19-16(18-2)21-15/h4-9H,1,10H2,2-3H3,(H,20,24)(H,18,19,21) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 929 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383296
(CHEMBL2029442)Show SMILES COc1cc(ccc1Nc1ncc2CN(C)C(=O)N(c3cccc(N)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H30N8O2/c1-30-9-11-32(12-10-30)19-7-8-21(22(14-19)35-3)28-24-27-15-17-16-31(2)25(34)33(23(17)29-24)20-6-4-5-18(26)13-20/h4-8,13-15H,9-12,16,26H2,1-3H3,(H,27,28,29) | PDB
MMDB
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UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383297
(CHEMBL2029443)Show SMILES CCC(=O)Nc1cccc(c1)N1C(=O)N(C)Cc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C28H34N8O3/c1-5-25(37)30-20-7-6-8-22(15-20)36-26-19(18-34(3)28(36)38)17-29-27(32-26)31-23-10-9-21(16-24(23)39-4)35-13-11-33(2)12-14-35/h6-10,15-17H,5,11-14,18H2,1-4H3,(H,30,37)(H,29,31,32) | PDB
MMDB
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383288
(CHEMBL2029433)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CN(C)C(=O)N(c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1 Show InChI InChI=1S/C27H29FN8O2/c1-4-24(37)30-19-6-5-7-21(14-19)36-25-18(17-34(3)27(36)38)16-29-26(32-25)31-23-9-8-20(15-22(23)28)35-12-10-33(2)11-13-35/h4-9,14-16H,1,10-13,17H2,2-3H3,(H,30,37)(H,29,31,32) | PDB
MMDB
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PC sid
UniChem
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PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of EGFR after 1.5 hr by FRET assay |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383292
(CHEMBL2029438)Show SMILES COc1cc(ccc1Nc1ncc2CN(Cc3ccccc3)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C34H36N8O3/c1-4-31(43)36-26-11-8-12-28(19-26)42-32-25(23-41(34(42)44)22-24-9-6-5-7-10-24)21-35-33(38-32)37-29-14-13-27(20-30(29)45-3)40-17-15-39(2)16-18-40/h4-14,19-21H,1,15-18,22-23H2,2-3H3,(H,36,43)(H,35,37,38) | PDB
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| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to EGFR |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383274
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | PDB
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MCE
PC cid
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| PDB
Article
PubMed
| n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to EGFR |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50383297
(CHEMBL2029443)Show SMILES CCC(=O)Nc1cccc(c1)N1C(=O)N(C)Cc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C28H34N8O3/c1-5-25(37)30-20-7-6-8-22(15-20)36-26-19(18-34(3)28(36)38)17-29-27(32-26)31-23-10-9-21(16-24(23)39-4)35-13-11-33(2)12-14-35/h6-10,15-17H,5,11-14,18H2,1-4H3,(H,30,37)(H,29,31,32) | PDB
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to EGFR |
J Med Chem 55: 2711-23 (2012)
Article DOI: 10.1021/jm201591k
BindingDB Entry DOI: 10.7270/Q2K938JM |
More data for this
Ligand-Target Pair | |
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