Found 48 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)) | BDBM50373856
(CHEMBL271705)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCOCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H24ClN7O3/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-25-17)28-21-20-22(27-15-26-21)29-30-23(20)33-12-9-31-7-10-32-11-8-31/h1-6,13,15H,7-12,14H2,(H2,26,27,28,29,30) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373853
(CHEMBL258282)Show SMILES CN1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H27ClN8O2/c1-32-8-10-33(11-9-32)12-13-34-24-21-22(27-16-28-23(21)30-31-24)29-17-5-6-20(19(25)14-17)35-15-18-4-2-3-7-26-18/h2-7,14,16H,8-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373862
(CHEMBL402553)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373869
(CHEMBL258270)Show SMILES CC(=O)N1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H27ClN8O3/c1-17(35)34-10-8-33(9-11-34)12-13-36-25-22-23(28-16-29-24(22)31-32-25)30-18-5-6-21(20(26)14-18)37-15-19-4-2-3-7-27-19/h2-7,14,16H,8-13,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373852
(CHEMBL257430)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCNCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H25ClN8O2/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-26-17)29-21-20-22(28-15-27-21)30-31-23(20)33-12-11-32-9-7-25-8-10-32/h1-6,13,15,25H,7-12,14H2,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373864
(CHEMBL402339)Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C26H29FN6O4/c1-35-22-14-19(5-6-21(22)37-15-17-3-2-4-18(27)13-17)30-24-23-25(29-16-28-24)31-32-26(23)36-12-11-33-9-7-20(34)8-10-33/h2-6,13-14,16,20,34H,7-12,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373857
(CHEMBL255135)Show SMILES CNCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C20H20ClN7O2/c1-22-8-9-29-20-17-18(24-12-25-19(17)27-28-20)26-13-5-6-16(15(21)10-13)30-11-14-4-2-3-7-23-14/h2-7,10,12,22H,8-9,11H2,1H3,(H2,24,25,26,27,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373859
(CHEMBL257861)Show SMILES OCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C19H17ClN6O3/c20-14-9-12(4-5-15(14)29-10-13-3-1-2-6-21-13)24-17-16-18(23-11-22-17)25-26-19(16)28-8-7-27/h1-6,9,11,27H,7-8,10H2,(H2,22,23,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373855
(CHEMBL272935)Show SMILES CN1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H29ClN8O2/c1-33-10-12-34(13-11-33)9-4-14-35-25-22-23(28-17-29-24(22)31-32-25)30-18-6-7-21(20(26)15-18)36-16-19-5-2-3-8-27-19/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373861
(CHEMBL411897)Show SMILES COC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c1-34-19-7-10-33(11-8-19)12-13-35-25-22-23(28-16-29-24(22)31-32-25)30-17-5-6-21(20(26)14-17)36-15-18-4-2-3-9-27-18/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373866
(CHEMBL403435)Show SMILES Cc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C25H29N7O3/c1-17-14-18(5-6-21(17)35-15-19-4-2-3-9-26-19)29-23-22-24(28-16-27-23)30-31-25(22)34-13-12-32-10-7-20(33)8-11-32/h2-6,9,14,16,20,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373853
(CHEMBL258282)Show SMILES CN1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H27ClN8O2/c1-32-8-10-33(11-9-32)12-13-34-24-21-22(27-16-28-23(21)30-31-24)29-17-5-6-20(19(25)14-17)35-15-18-4-2-3-7-26-18/h2-7,14,16H,8-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373867
(CHEMBL404405)Show SMILES OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-13-16(4-5-20(19)35-14-17-3-1-2-8-26-17)29-22-21-23(28-15-27-22)30-31-24(21)34-12-11-32-9-6-18(33)7-10-32/h1-5,8,13,15,18,33H,6-7,9-12,14H2,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373854
(CHEMBL257873)Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2F)cn1 Show InChI InChI=1S/C24H26FN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373860
(CHEMBL257860)Show SMILES OC1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373858
(CHEMBL255170)Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2Cl)cn1 Show InChI InChI=1S/C24H26ClN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373862
(CHEMBL402553)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373852
(CHEMBL257430)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCNCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H25ClN8O2/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-26-17)29-21-20-22(28-15-27-21)30-31-23(20)33-12-11-32-9-7-25-8-10-32/h1-6,13,15,25H,7-12,14H2,(H2,27,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373860
(CHEMBL257860)Show SMILES OC1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373865
(CHEMBL257872)Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2C)cn1 Show InChI InChI=1S/C25H29N7O3/c1-16-13-18(4-6-21(16)35-20-5-3-17(2)26-14-20)29-23-22-24(28-15-27-23)30-31-25(22)34-12-11-32-9-7-19(33)8-10-32/h3-6,13-15,19,33H,7-12H2,1-2H3,(H2,27,28,29,30,31) | PDB
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DrugBank
antibodypedia
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UniChem
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373864
(CHEMBL402339)Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C26H29FN6O4/c1-35-22-14-19(5-6-21(22)37-15-17-3-2-4-18(27)13-17)30-24-23-25(29-16-28-24)31-32-26(23)36-12-11-33-9-7-20(34)8-10-33/h2-6,13-14,16,20,34H,7-12,15H2,1H3,(H2,28,29,30,31,32) | PDB
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UniChem
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PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373867
(CHEMBL404405)Show SMILES OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-13-16(4-5-20(19)35-14-17-3-1-2-8-26-17)29-22-21-23(28-15-27-22)30-31-24(21)34-12-11-32-9-6-18(33)7-10-32/h1-5,8,13,15,18,33H,6-7,9-12,14H2,(H2,27,28,29,30,31) | PDB
MMDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373855
(CHEMBL272935)Show SMILES CN1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H29ClN8O2/c1-33-10-12-34(13-11-33)9-4-14-35-25-22-23(28-17-29-24(22)31-32-25)30-18-6-7-21(20(26)15-18)36-16-19-5-2-3-8-27-19/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
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PC cid
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PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373868
(CHEMBL257859)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCCN4CCOCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-14-17(5-6-20(19)35-15-18-4-1-2-7-26-18)29-22-21-23(28-16-27-22)30-31-24(21)34-11-3-8-32-9-12-33-13-10-32/h1-2,4-7,14,16H,3,8-13,15H2,(H2,27,28,29,30,31) | PDB
MMDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373859
(CHEMBL257861)Show SMILES OCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C19H17ClN6O3/c20-14-9-12(4-5-15(14)29-10-13-3-1-2-6-21-13)24-17-16-18(23-11-22-17)25-26-19(16)28-8-7-27/h1-6,9,11,27H,7-8,10H2,(H2,22,23,24,25,26) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373857
(CHEMBL255135)Show SMILES CNCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C20H20ClN7O2/c1-22-8-9-29-20-17-18(24-12-25-19(17)27-28-20)26-13-5-6-16(15(21)10-13)30-11-14-4-2-3-7-23-14/h2-7,10,12,22H,8-9,11H2,1H3,(H2,24,25,26,27,28) | PDB
MMDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373863
(CHEMBL401713)Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C25H29N7O4/c1-34-21-14-17(5-6-20(21)36-15-18-4-2-3-9-26-18)29-23-22-24(28-16-27-23)30-31-25(22)35-13-12-32-10-7-19(33)8-11-32/h2-6,9,14,16,19,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373866
(CHEMBL403435)Show SMILES Cc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C25H29N7O3/c1-17-14-18(5-6-21(17)35-15-19-4-2-3-9-26-19)29-23-22-24(28-16-27-23)30-31-25(22)34-13-12-32-10-7-20(33)8-11-32/h2-6,9,14,16,20,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373870
(CHEMBL255376)Show SMILES OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H26ClFN6O3/c26-20-13-18(4-5-21(20)36-14-16-2-1-3-17(27)12-16)30-23-22-24(29-15-28-23)31-32-25(22)35-11-10-33-8-6-19(34)7-9-33/h1-5,12-13,15,19,34H,6-11,14H2,(H2,28,29,30,31,32) | PDB
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DrugBank
antibodypedia
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UniChem
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373861
(CHEMBL411897)Show SMILES COC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c1-34-19-7-10-33(11-8-19)12-13-35-25-22-23(28-16-29-24(22)31-32-25)30-17-5-6-21(20(26)14-17)36-15-18-4-2-3-9-27-18/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373861
(CHEMBL411897)Show SMILES COC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c1-34-19-7-10-33(11-8-19)12-13-35-25-22-23(28-16-29-24(22)31-32-25)30-17-5-6-21(20(26)14-17)36-15-18-4-2-3-9-27-18/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373863
(CHEMBL401713)Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C25H29N7O4/c1-34-21-14-17(5-6-20(21)36-15-18-4-2-3-9-26-18)29-23-22-24(28-16-27-23)30-31-25(22)35-13-12-32-10-7-19(33)8-11-32/h2-6,9,14,16,19,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373872
(CHEMBL438536)Show SMILES Cc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C26H29FN6O3/c1-17-13-20(5-6-22(17)36-15-18-3-2-4-19(27)14-18)30-24-23-25(29-16-28-24)31-32-26(23)35-12-11-33-9-7-21(34)8-10-33/h2-6,13-14,16,21,34H,7-12,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373852
(CHEMBL257430)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCNCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H25ClN8O2/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-26-17)29-21-20-22(28-15-27-21)30-31-23(20)33-12-11-32-9-7-25-8-10-32/h1-6,13,15,25H,7-12,14H2,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373869
(CHEMBL258270)Show SMILES CC(=O)N1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H27ClN8O3/c1-17(35)34-10-8-33(9-11-34)12-13-36-25-22-23(28-16-29-24(22)31-32-25)30-18-5-6-21(20(26)14-18)37-15-19-4-2-3-7-27-19/h2-7,14,16H,8-13,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373867
(CHEMBL404405)Show SMILES OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-13-16(4-5-20(19)35-14-17-3-1-2-8-26-17)29-22-21-23(28-15-27-22)30-31-24(21)34-12-11-32-9-6-18(33)7-10-32/h1-5,8,13,15,18,33H,6-7,9-12,14H2,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373871
(CHEMBL270448)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCCCCO4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-14-17(7-8-20(19)34-15-18-6-2-3-9-26-18)29-22-21-23(28-16-27-22)30-31-24(21)33-13-11-32-10-4-1-5-12-35-32/h2-3,6-9,14,16H,1,4-5,10-13,15H2,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373853
(CHEMBL258282)Show SMILES CN1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H27ClN8O2/c1-32-8-10-33(11-9-32)12-13-34-24-21-22(27-16-28-23(21)30-31-24)29-17-5-6-20(19(25)14-17)35-15-18-4-2-3-7-26-18/h2-7,14,16H,8-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373858
(CHEMBL255170)Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2Cl)cn1 Show InChI InChI=1S/C24H26ClN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373865
(CHEMBL257872)Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2C)cn1 Show InChI InChI=1S/C25H29N7O3/c1-16-13-18(4-6-21(16)35-20-5-3-17(2)26-14-20)29-23-22-24(28-15-27-23)30-31-25(22)34-12-11-32-9-7-19(33)8-10-32/h3-6,13-15,19,33H,7-12H2,1-2H3,(H2,27,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373865
(CHEMBL257872)Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2C)cn1 Show InChI InChI=1S/C25H29N7O3/c1-16-13-18(4-6-21(16)35-20-5-3-17(2)26-14-20)29-23-22-24(28-15-27-23)30-31-25(22)34-12-11-32-9-7-19(33)8-10-32/h3-6,13-15,19,33H,7-12H2,1-2H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 415 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373868
(CHEMBL257859)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCCN4CCOCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-14-17(5-6-20(19)35-15-18-4-1-2-7-26-18)29-22-21-23(28-16-27-22)30-31-24(21)34-11-3-8-32-9-12-33-13-10-32/h1-2,4-7,14,16H,3,8-13,15H2,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373864
(CHEMBL402339)Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C26H29FN6O4/c1-35-22-14-19(5-6-21(22)37-15-17-3-2-4-18(27)13-17)30-24-23-25(29-16-28-24)31-32-26(23)36-12-11-33-9-7-20(34)8-10-33/h2-6,13-14,16,20,34H,7-12,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 613 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373866
(CHEMBL403435)Show SMILES Cc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C25H29N7O3/c1-17-14-18(5-6-21(17)35-15-19-4-2-3-9-26-19)29-23-22-24(28-16-27-23)30-31-25(22)34-13-12-32-10-7-20(33)8-11-32/h2-6,9,14,16,20,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 695 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373862
(CHEMBL402553)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 818 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373857
(CHEMBL255135)Show SMILES CNCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C20H20ClN7O2/c1-22-8-9-29-20-17-18(24-12-25-19(17)27-28-20)26-13-5-6-16(15(21)10-13)30-11-14-4-2-3-7-23-14/h2-7,10,12,22H,8-9,11H2,1H3,(H2,24,25,26,27,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373854
(CHEMBL257873)Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2F)cn1 Show InChI InChI=1S/C24H26FN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373863
(CHEMBL401713)Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C25H29N7O4/c1-34-21-14-17(5-6-20(21)36-15-18-4-2-3-9-26-18)29-23-22-24(28-16-27-23)30-31-25(22)35-13-12-32-10-7-19(33)8-11-32/h2-6,9,14,16,19,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erB2 autophosphorylation in clone 24 cells |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
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