Found 91 hits with Last Name = 'magnien' and Initial = 'f' 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)) | BDBM50236369
((R)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236369
((R)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371358
(CHEMBL257478)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)28-15-21)31-26-25-22(29-16-30-26)6-5-7-24(25)35-19(3)27(34)32(4)12-13-33/h5-11,14-16,19,33H,12-13H2,1-4H3,(H,29,30,31)/t19-/m1/s1 | 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 |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50253249
(CHEMBL4093351)Show SMILES CN1CCC(CC1)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1 Show InChI InChI=1S/C21H25N9/c1-13-17(15-12-23-16-6-4-5-9-30(15)16)25-18(19(22)24-13)21-26-20(27-29(21)3)14-7-10-28(2)11-8-14/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H2,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236375
((S)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C27H25FN6O2/c1-17(27(35)33(2)3)36-24-9-5-8-22-25(24)26(30-16-29-22)32-21-10-11-23-19(13-21)14-31-34(23)15-18-6-4-7-20(28)12-18/h4-14,16-17H,15H2,1-3H3,(H,29,30,32)/t17-/m0/s1 | 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 |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50253251
(CHEMBL4072637)Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1 Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236373
((R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C27H25FN6O2/c1-17(27(35)33(2)3)36-24-9-5-8-22-25(24)26(30-16-29-22)32-21-10-11-23-19(13-21)14-31-34(23)15-18-6-4-7-20(28)12-18/h4-14,16-17H,15H2,1-3H3,(H,29,30,32)/t17-/m1/s1 | PDB
MMDB
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 |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50253250
(CHEMBL4064039)Show SMILES CN1CCC(CC1)n1ncc(n1)-c1nc(-c2cnc3ccccn23)c(C)nc1N Show InChI InChI=1S/C20H23N9/c1-13-18(16-12-22-17-5-3-4-8-28(16)17)25-19(20(21)24-13)15-11-23-29(26-15)14-6-9-27(2)10-7-14/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H2,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236370
((R)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-i...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H25N7O2/c1-17(26(34)32(2)3)35-23-9-6-8-21-24(23)25(29-16-28-21)31-19-10-11-22-18(13-19)14-30-33(22)15-20-7-4-5-12-27-20/h4-14,16-17H,15H2,1-3H3,(H,28,29,31)/t17-/m1/s1 | PDB
MMDB
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 |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50253243
(CHEMBL4078681)Show SMILES CNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)nc2N)n(C)n1 Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-26-7-5-4-6-11(10)26)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236381
((S)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094473
(CHEMBL3590219)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50253251
(CHEMBL4072637)Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1 Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371359
(CHEMBL403774)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H26ClN5O4/c1-18(27(34)33-11-13-35-14-12-33)37-24-7-4-6-22-25(24)26(31-17-30-22)32-19-8-9-23(21(28)15-19)36-16-20-5-2-3-10-29-20/h2-10,15,17-18H,11-14,16H2,1H3,(H,30,31,32)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50253248
(CHEMBL4102957)Show SMILES CNC(=O)c1nc(-c2nc(cnc2N)-c2cnc3ccccn23)n(C)n1 Show InChI InChI=1S/C16H15N9O/c1-18-16(26)14-22-15(24(2)23-14)12-13(17)20-7-9(21-12)10-8-19-11-5-3-4-6-25(10)11/h3-8H,1-2H3,(H2,17,20)(H,18,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50094473
(CHEMBL3590219)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236368
((R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C29H27FN6O3/c1-19(29(37)35-10-12-38-13-11-35)39-26-7-3-6-24-27(26)28(32-18-31-24)34-23-8-9-25-21(15-23)16-33-36(25)17-20-4-2-5-22(30)14-20/h2-9,14-16,18-19H,10-13,17H2,1H3,(H,31,32,34)/t19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371373
(CHEMBL402507)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H29N5O4/c1-18-15-21(8-10-24(18)37-22-9-7-19(2)29-16-22)32-27-26-23(30-17-31-27)5-4-6-25(26)36-20(3)28(34)33-11-13-35-14-12-33/h4-10,15-17,20H,11-14H2,1-3H3,(H,30,31,32)/t20-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50371364
(CHEMBL428777)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C25H24ClN5O3/c1-16(25(32)31(2)3)34-22-9-6-8-20-23(22)24(29-15-28-20)30-17-10-11-21(19(26)13-17)33-14-18-7-4-5-12-27-18/h4-13,15-16H,14H2,1-3H3,(H,28,29,30)/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50229343
((R)-N,N-dimethyl-2-(4-(3-methyl-4-(6-methylpyridin...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H27N5O3/c1-16-13-19(10-12-22(16)34-20-11-9-17(2)27-14-20)30-25-24-21(28-15-29-25)7-6-8-23(24)33-18(3)26(32)31(4)5/h6-15,18H,1-5H3,(H,28,29,30)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371371
(CHEMBL411799)Show SMILES COc1cc(Nc2ncnc3cccc(O[C@H](C)C(=O)N4CCOCC4)c23)ccc1Oc1ccc(C)nc1 Show InChI InChI=1S/C28H29N5O5/c1-18-7-9-21(16-29-18)38-23-10-8-20(15-25(23)35-3)32-27-26-22(30-17-31-27)5-4-6-24(26)37-19(2)28(34)33-11-13-36-14-12-33/h4-10,15-17,19H,11-14H2,1-3H3,(H,30,31,32)/t19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50229343
((R)-N,N-dimethyl-2-(4-(3-methyl-4-(6-methylpyridin...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H27N5O3/c1-16-13-19(10-12-22(16)34-20-11-9-17(2)27-14-20)30-25-24-21(28-15-29-25)7-6-8-23(24)33-18(3)26(32)31(4)5/h6-15,18H,1-5H3,(H,28,29,30)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236377
((S)-N,N-dimethyl-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C24H23N7O2S/c1-15(24(32)30(2)3)33-20-6-4-5-18-22(20)23(27-14-26-18)29-17-7-8-19-16(11-17)12-28-31(19)13-21-25-9-10-34-21/h4-12,14-15H,13H2,1-3H3,(H,26,27,29)/t15-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50253243
(CHEMBL4078681)Show SMILES CNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)nc2N)n(C)n1 Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-26-7-5-4-6-11(10)26)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236376
((R)-N,N-dimethyl-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C24H23N7O2S/c1-15(24(32)30(2)3)33-20-6-4-5-18-22(20)23(27-14-26-18)29-17-7-8-19-16(11-17)12-28-31(19)13-21-25-9-10-34-21/h4-12,14-15H,13H2,1-3H3,(H,26,27,29)/t15-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371372
(CHEMBL402798)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H26ClN5O4/c1-17-6-8-20(15-29-17)37-23-9-7-19(14-21(23)28)32-26-25-22(30-16-31-26)4-3-5-24(25)36-18(2)27(34)33-10-12-35-13-11-33/h3-9,14-16,18H,10-13H2,1-2H3,(H,30,31,32)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371366
(CHEMBL429760)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H27N5O3/c1-16-13-19(10-12-22(16)34-20-11-9-17(2)27-14-20)30-25-24-21(28-15-29-25)7-6-8-23(24)33-18(3)26(32)31(4)5/h6-15,18H,1-5H3,(H,28,29,30)/t18-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371368
(CHEMBL258313)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C26H26ClN5O4/c1-17(26(34)32(2)12-13-33)36-23-8-5-7-21-24(23)25(30-16-29-21)31-18-9-10-22(20(27)14-18)35-15-19-6-3-4-11-28-19/h3-11,14,16-17,33H,12-13,15H2,1-2H3,(H,29,30,31)/t17-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50253249
(CHEMBL4093351)Show SMILES CN1CCC(CC1)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1 Show InChI InChI=1S/C21H25N9/c1-13-17(15-12-23-16-6-4-5-9-30(15)16)25-18(19(22)24-13)21-26-20(27-29(21)3)14-7-10-28(2)11-8-14/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H2,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236383
((R)-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylam...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(N)=O Show InChI InChI=1S/C24H21N7O2/c1-15(23(25)32)33-21-7-4-6-19-22(21)24(28-14-27-19)30-17-8-9-20-16(11-17)12-29-31(20)13-18-5-2-3-10-26-18/h2-12,14-15H,13H2,1H3,(H2,25,32)(H,27,28,30)/t15-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371364
(CHEMBL428777)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C25H24ClN5O3/c1-16(25(32)31(2)3)34-22-9-6-8-20-23(22)24(29-15-28-20)30-17-10-11-21(19(26)13-17)33-14-18-7-4-5-12-27-18/h4-13,15-16H,14H2,1-3H3,(H,28,29,30)/t16-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371361
(CHEMBL430407)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H29N5O4/c1-18-15-21(8-10-24(18)37-22-9-7-19(2)29-16-22)32-27-26-23(30-17-31-27)5-4-6-25(26)36-20(3)28(34)33-11-13-35-14-12-33/h4-10,15-17,20H,11-14H2,1-3H3,(H,30,31,32)/t20-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371362
(CHEMBL255968)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C25H24ClN5O3/c1-16(25(32)31(2)3)34-22-9-6-8-20-23(22)24(29-15-28-20)30-17-10-11-21(19(26)13-17)33-14-18-7-4-5-12-27-18/h4-13,15-16H,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50253251
(CHEMBL4072637)Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1 Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236369
((R)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236378
((R)-1-morpholino-2-(4-(1-(pyridin-2-ylmethyl)-1H-i...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H27N7O3/c1-19(28(36)34-11-13-37-14-12-34)38-25-7-4-6-23-26(25)27(31-18-30-23)33-21-8-9-24-20(15-21)16-32-35(24)17-22-5-2-3-10-29-22/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,30,31,33)/t19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236384
((R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...)Show SMILES CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C26H23FN6O2/c1-16(26(34)28-2)35-23-8-4-7-21-24(23)25(30-15-29-21)32-20-9-10-22-18(12-20)13-31-33(22)14-17-5-3-6-19(27)11-17/h3-13,15-16H,14H2,1-2H3,(H,28,34)(H,29,30,32)/t16-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236372
((R)-N-methyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-indaz...)Show SMILES CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12 Show InChI InChI=1S/C25H23N7O2/c1-16(25(33)26-2)34-22-8-5-7-20-23(22)24(29-15-28-20)31-18-9-10-21-17(12-18)13-30-32(21)14-19-6-3-4-11-27-19/h3-13,15-16H,14H2,1-2H3,(H,26,33)(H,28,29,31)/t16-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371367
(CHEMBL403594)Show SMILES CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C24H22ClN5O3/c1-15(24(31)26-2)33-21-8-5-7-19-22(21)23(29-14-28-19)30-16-9-10-20(18(25)12-16)32-13-17-6-3-4-11-27-17/h3-12,14-15H,13H2,1-2H3,(H,26,31)(H,28,29,30)/t15-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371358
(CHEMBL257478)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)28-15-21)31-26-25-22(29-16-30-26)6-5-7-24(25)35-19(3)27(34)32(4)12-13-33/h5-11,14-16,19,33H,12-13H2,1-4H3,(H,29,30,31)/t19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50253250
(CHEMBL4064039)Show SMILES CN1CCC(CC1)n1ncc(n1)-c1nc(-c2cnc3ccccn23)c(C)nc1N Show InChI InChI=1S/C20H23N9/c1-13-18(16-12-22-17-5-3-4-8-28(16)17)25-19(20(21)24-13)15-11-23-29(26-15)14-6-9-27(2)10-7-14/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H2,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371369
(CHEMBL430410)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)28-15-21)31-26-25-22(29-16-30-26)6-5-7-24(25)35-19(3)27(34)32(4)12-13-33/h5-11,14-16,19,33H,12-13H2,1-4H3,(H,29,30,31)/t19-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371363
(CHEMBL256060)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C26H26ClN5O4/c1-17(26(34)32(2)12-13-33)36-23-8-5-7-21-24(23)25(30-16-29-21)31-18-9-10-22(20(27)14-18)35-15-19-6-3-4-11-28-19/h3-11,14,16-17,33H,12-13,15H2,1-2H3,(H,29,30,31)/t17-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236367
((S)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-i...)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H25N7O2/c1-17(26(34)32(2)3)35-23-9-6-8-21-24(23)25(29-16-28-21)31-19-10-11-22-18(13-19)14-30-33(22)15-20-7-4-5-12-27-20/h4-14,16-17H,15H2,1-3H3,(H,28,29,31)/t17-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50253251
(CHEMBL4072637)Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1 Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) |
Bioorg Med Chem Lett 27: 3030-3035 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236370
((R)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-i...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H25N7O2/c1-17(26(34)32(2)3)35-23-9-6-8-21-24(23)25(29-16-28-21)31-19-10-11-22-18(13-19)14-30-33(22)15-20-7-4-5-12-27-20/h4-14,16-17H,15H2,1-3H3,(H,28,29,31)/t17-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371357
(CHEMBL258353)Show SMILES CN(CCO)C(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C25H24ClN5O4/c1-31(11-12-32)23(33)15-35-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)34-14-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371370
(CHEMBL257477)Show SMILES COCCN(C)C(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12 Show InChI InChI=1S/C28H31N5O4/c1-18-15-21(10-12-24(18)37-22-11-9-19(2)29-16-22)32-27-26-23(30-17-31-27)7-6-8-25(26)36-20(3)28(34)33(4)13-14-35-5/h6-12,15-17,20H,13-14H2,1-5H3,(H,30,31,32)/t20-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371374
(CHEMBL255337)Show SMILES CN(CCO)C(=O)COc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12 Show InChI InChI=1S/C26H27N5O4/c1-17-13-19(8-10-22(17)35-20-9-7-18(2)27-14-20)30-26-25-21(28-16-29-26)5-4-6-23(25)34-15-24(33)31(3)11-12-32/h4-10,13-14,16,32H,11-12,15H2,1-3H3,(H,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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236387
((S)-N,N-dimethyl-2-(4-(1-(thiazol-4-ylmethyl)-1H-i...)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cscn5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C24H23N7O2S/c1-15(24(32)30(2)3)33-21-6-4-5-19-22(21)23(26-13-25-19)29-17-7-8-20-16(9-17)10-28-31(20)11-18-12-34-14-27-18/h4-10,12-15H,11H2,1-3H3,(H,25,26,29)/t15-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
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