Found 123 hits with Last Name = 'williams' and Initial = 'ej' 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 |
|---|
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293243
(3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimi...)Show SMILES CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)S(N)(=O)=O Show InChI InChI=1S/C18H17ClN6O6S2/c1-32(26,27)25-11-6-10(7-12(8-11)33(20,28)29)22-18-21-5-4-15(24-18)23-16-13(19)2-3-14-17(16)31-9-30-14/h2-8,25H,9H2,1H3,(H2,20,28,29)(H2,21,22,23,24) | PDB
MMDB
Reactome pathway
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 EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50190001
(CHEMBL213007 | N-(5-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OC1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C21H22ClFN4O4S/c1-30-19-11-17-15(10-20(19)31-14-5-7-27(8-6-14)32(2,28)29)21(25-12-24-17)26-18-9-13(22)3-4-16(18)23/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26) | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50072961
(CHEMBL3410672)Show SMILES C[C@H]1COCCN1c1cc(nc(n1)-c1ccc(NC(=S)NCCO)cc1)C1(CC1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s... |
J Med Chem 58: 2326-49 (2015)
Article DOI: 10.1021/jm501778s
BindingDB Entry DOI: 10.7270/Q2DF6SW8 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293242
(CHEMBL497198 | N4-(5-chlorobenzo[d][1,3]dioxol-4-y...)Show SMILES CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1 Show InChI InChI=1S/C22H22ClN5O5S/c1-34(29,30)16-11-14(10-15(12-16)28-6-8-31-9-7-28)25-22-24-5-4-19(27-22)26-20-17(23)2-3-18-21(20)33-13-32-18/h2-5,10-12H,6-9,13H2,1H3,(H2,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
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 EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293244
(CHEMBL523744 | N-(3-(4-(5-chlorobenzo[d][1,3]dioxo...)Show SMILES CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1 Show InChI InChI=1S/C22H23ClN6O5S/c1-35(30,31)28-15-10-14(11-16(12-15)29-6-8-32-9-7-29)25-22-24-5-4-19(27-22)26-20-17(23)2-3-18-21(20)34-13-33-18/h2-5,10-12,28H,6-9,13H2,1H3,(H2,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
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 EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293247
(CHEMBL468970 | N4-(5-chlorobenzo[d][1,3]dioxol-4-y...)Show SMILES Clc1ccc2OCOc2c1Nc1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1 Show InChI InChI=1S/C25H27ClN6O4/c26-20-1-2-21-24(36-16-35-21)23(20)29-22-3-4-27-25(30-22)28-17-13-18(31-5-9-33-10-6-31)15-19(14-17)32-7-11-34-12-8-32/h1-4,13-15H,5-12,16H2,(H2,27,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
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 EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189995
(CHEMBL213874 | N-(3-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24ClFN4O2/c1-28-8-6-14(7-9-28)12-30-20-10-15-18(11-19(20)29-2)25-13-26-22(15)27-17-5-3-4-16(23)21(17)24/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50190000
(CHEMBL214798 | N-(3-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C)CC1 Show InChI InChI=1S/C21H22ClFN4O2/c1-27-8-6-13(7-9-27)29-19-10-14-17(11-18(19)28-2)24-12-25-21(14)26-16-5-3-4-15(22)20(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50190002
(CHEMBL387265 | N-(3-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C21H22ClFN4O4S/c1-30-18-11-17-14(10-19(18)31-13-6-8-27(9-7-13)32(2,28)29)21(25-12-24-17)26-16-5-3-4-15(22)20(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222489
((R)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/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 | 2 | 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 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189993
(2-(4-(4-(3-chloro-2-fluorophenylamino)-7-methoxyqu...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C22H23ClFN5O3/c1-31-18-10-17-14(9-19(18)32-13-5-7-29(8-6-13)11-20(25)30)22(27-12-26-17)28-16-4-2-3-15(23)21(16)24/h2-4,9-10,12-13H,5-8,11H2,1H3,(H2,25,30)(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222495
((S)-1-(2-((4-(3-chloro-4-(pyridin-2-ylmethoxy)phen...)Show SMILES OCC(=O)N1CCC[C@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C27H26ClN5O4/c28-21-13-18(9-10-23(21)36-15-19-5-1-2-11-29-19)32-27-26-22(30-17-31-27)7-3-8-24(26)37-16-20-6-4-12-33(20)25(35)14-34/h1-3,5,7-11,13,17,20,34H,4,6,12,14-16H2,(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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 kinase |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189990
(CHEMBL215786 | N-(3-chloro-4-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24ClFN4O2/c1-28-7-5-14(6-8-28)12-30-21-10-16-19(11-20(21)29-2)25-13-26-22(16)27-15-3-4-18(24)17(23)9-15/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189991
(CHEMBL214857 | N-(3-chloro-2-fluorophenyl)-7-metho...)Show SMILES COCCN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC Show InChI InChI=1S/C23H26ClFN4O3/c1-30-11-10-29-8-6-15(7-9-29)32-21-12-16-19(13-20(21)31-2)26-14-27-23(16)28-18-5-3-4-17(24)22(18)25/h3-5,12-15H,6-11H2,1-2H3,(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50179758
(CHEMBL203725 | N-(3-chloro-4-fluorophenyl)-5-(1-me...)Show SMILES CN1CCC(CC1)Oc1cccc2ncnc(Nc3ccc(F)c(Cl)c3)c12 Show InChI InChI=1S/C20H20ClFN4O/c1-26-9-7-14(8-10-26)27-18-4-2-3-17-19(18)20(24-12-23-17)25-13-5-6-16(22)15(21)11-13/h2-6,11-12,14H,7-10H2,1H3,(H,23,24,25) | 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
Inhibitory activity against EGFR |
Bioorg Med Chem Lett 16: 1633-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.028
BindingDB Entry DOI: 10.7270/Q2P84BGH |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222493
((R)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 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 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222491
(CHEMBL249928 | N-(2-(4-(3-chloro-4-(pyridin-2-ylme...)Show SMILES CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO Show InChI InChI=1S/C25H24ClN5O4/c1-31(23(33)14-32)11-12-34-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)35-15-18-5-2-3-10-27-18/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 kinase |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50072963
(CHEMBL3410548)Show SMILES C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc(NC(=O)NCCO)cc1 |r| Show InChI InChI=1S/C20H27N5O5S/c1-14-12-30-10-8-25(14)18-11-17(13-31(2,28)29)22-19(24-18)15-3-5-16(6-4-15)23-20(27)21-7-9-26/h3-6,11,14,26H,7-10,12-13H2,1-2H3,(H2,21,23,27)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s... |
J Med Chem 58: 2326-49 (2015)
Article DOI: 10.1021/jm501778s
BindingDB Entry DOI: 10.7270/Q2DF6SW8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189998
(CHEMBL385471 | N-(5-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24ClFN4O2/c1-28-7-5-14(6-8-28)12-30-21-10-16-18(11-20(21)29-2)25-13-26-22(16)27-19-9-15(23)3-4-17(19)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50190003
(2-(4-(4-(5-chloro-2-fluorophenylamino)-7-methoxyqu...)Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OC1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C22H23ClFN5O3/c1-31-19-10-17-15(9-20(19)32-14-4-6-29(7-5-14)11-21(25)30)22(27-12-26-17)28-18-8-13(23)2-3-16(18)24/h2-3,8-10,12,14H,4-7,11H2,1H3,(H2,25,30)(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50179766
(CHEMBL205149 | N-(3-chloro-4-fluorophenyl)-7-metho...)Show SMILES COc1cc(OC2CCNCC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1 Show InChI InChI=1S/C20H20ClFN4O2/c1-27-14-9-17-19(18(10-14)28-13-4-6-23-7-5-13)20(25-11-24-17)26-12-2-3-16(22)15(21)8-12/h2-3,8-11,13,23H,4-7H2,1H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against EGFR |
Bioorg Med Chem Lett 16: 1633-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.028
BindingDB Entry DOI: 10.7270/Q2P84BGH |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189994
(CHEMBL276154 | N-(3-chloro-4-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1 Show InChI InChI=1S/C21H22ClFN4O2/c1-27-7-5-14(6-8-27)29-20-10-15-18(11-19(20)28-2)24-12-25-21(15)26-13-3-4-17(23)16(22)9-13/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222493
((R)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,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
Patents
Similars
| Article
PubMed
| 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 Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222489
((R)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293240
(CHEMBL523088 | N-(3-(4-(5-chlorobenzo[d][1,3]dioxo...)Show SMILES CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C19H18ClN5O6S2/c1-32(26,27)13-8-11(7-12(9-13)25-33(2,28)29)22-19-21-6-5-16(24-19)23-17-14(20)3-4-15-18(17)31-10-30-15/h3-9,25H,10H2,1-2H3,(H2,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293248
(3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimi...)Show SMILES NC(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1 Show InChI InChI=1S/C22H21ClN6O4/c23-16-1-2-17-20(33-12-32-17)19(16)27-18-3-4-25-22(28-18)26-14-9-13(21(24)30)10-15(11-14)29-5-7-31-8-6-29/h1-4,9-11H,5-8,12H2,(H2,24,30)(H2,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293245
(CHEMBL496968 | N,N'-(5-(4-(5-chlorobenzo[d][1,3]di...)Show SMILES CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C19H19ClN6O6S2/c1-33(27,28)25-12-7-11(8-13(9-12)26-34(2,29)30)22-19-21-6-5-16(24-19)23-17-14(20)3-4-15-18(17)32-10-31-15/h3-9,25-26H,10H2,1-2H3,(H2,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293247
(CHEMBL468970 | N4-(5-chlorobenzo[d][1,3]dioxol-4-y...)Show SMILES Clc1ccc2OCOc2c1Nc1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1 Show InChI InChI=1S/C25H27ClN6O4/c26-20-1-2-21-24(36-16-35-21)23(20)29-22-3-4-27-25(30-22)28-17-13-18(31-5-9-33-10-6-31)15-19(14-17)32-7-11-34-12-8-32/h1-4,13-15H,5-12,16H2,(H2,27,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 Myc-His-tagged EphB4 expressed in CHOK1 cells assessed as phosphorylation by ELISA |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189992
(CHEMBL385479 | N-(3-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-19-13-18-15(12-20(19)31-9-3-6-28-7-10-30-11-8-28)22(26-14-25-18)27-17-5-2-4-16(23)21(17)24/h2,4-5,12-14H,3,6-11H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222492
((S)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,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
Patents
Similars
| Article
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 ErbB2 kinase |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50179760
(CHEMBL203295 | N-(3-chloro-4-fluorophenyl)-7-metho...)Show SMILES COc1cc(OC2CCN(C)CC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1 Show InChI InChI=1S/C21H22ClFN4O2/c1-27-7-5-14(6-8-27)29-19-11-15(28-2)10-18-20(19)21(25-12-24-18)26-13-3-4-17(23)16(22)9-13/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against EGFR |
Bioorg Med Chem Lett 16: 1633-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.028
BindingDB Entry DOI: 10.7270/Q2P84BGH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222494
((S)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,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
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 kinase |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 23 | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293241
(3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimi...)Show SMILES CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)C(N)=O Show InChI InChI=1S/C19H16ClN5O5S/c1-31(27,28)12-7-10(18(21)26)6-11(8-12)23-19-22-5-4-15(25-19)24-16-13(20)2-3-14-17(16)30-9-29-14/h2-8H,9H2,1H3,(H2,21,26)(H2,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384248
(CHEMBL2030451)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30) | 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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s... |
J Med Chem 58: 2326-49 (2015)
Article DOI: 10.1021/jm501778s
BindingDB Entry DOI: 10.7270/Q2DF6SW8 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293242
(CHEMBL497198 | N4-(5-chlorobenzo[d][1,3]dioxol-4-y...)Show SMILES CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1 Show InChI InChI=1S/C22H22ClN5O5S/c1-34(29,30)16-11-14(10-15(12-16)28-6-8-31-9-7-28)25-22-24-5-4-19(27-22)26-20-17(23)2-3-18-21(20)33-13-32-18/h2-5,10-12H,6-9,13H2,1H3,(H2,24,25,26,27) | PDB
MMDB
Reactome pathway
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UniChem
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| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Myc-His-tagged EphB4 expressed in CHOK1 cells assessed as phosphorylation by ELISA |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222491
(CHEMBL249928 | N-(2-(4-(3-chloro-4-(pyridin-2-ylme...)Show SMILES CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO Show InChI InChI=1S/C25H24ClN5O4/c1-31(23(33)14-32)11-12-34-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)35-15-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,28,29,30) | PDB
MMDB
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UniChem
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PubMed
| n/a | n/a | 35 | 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 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM25223
(2,4-Pyrimidine derivative, 25 | 3-({4-[(5-chloro-2...)Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1 Show InChI InChI=1S/C17H14ClN5O4S/c18-12-4-5-13-16(27-9-26-13)15(12)22-14-6-7-20-17(23-14)21-10-2-1-3-11(8-10)28(19,24)25/h1-8H,9H2,(H2,19,24,25)(H2,20,21,22,23) | PDB
MMDB
Reactome pathway
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM25223
(2,4-Pyrimidine derivative, 25 | 3-({4-[(5-chloro-2...)Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1 Show InChI InChI=1S/C17H14ClN5O4S/c18-12-4-5-13-16(27-9-26-13)15(12)22-14-6-7-20-17(23-14)21-10-2-1-3-11(8-10)28(19,24)25/h1-8H,9H2,(H2,19,24,25)(H2,20,21,22,23) | PDB
MMDB
Reactome pathway
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MMDB
PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.4 | 22 |
AstraZeneca
| Assay Description
This assay detects inhibitors of EphB4-mediated phosphorylation of a polypeptide substrate using Alphascreen luminescence detection technology. The r... |
Bioorg Med Chem Lett 18: 2776-80 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.015
BindingDB Entry DOI: 10.7270/Q2C827MH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222491
(CHEMBL249928 | N-(2-(4-(3-chloro-4-(pyridin-2-ylme...)Show SMILES CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO Show InChI InChI=1S/C25H24ClN5O4/c1-31(23(33)14-32)11-12-34-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)35-15-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,28,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189997
(CHEMBL384699 | N-(5-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-18-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-18)27-19-11-15(23)3-4-17(19)24/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
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| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50179757
(CHEMBL205776 | N-(3-chloro-4-fluorophenyl)-7-(3-(4...)Show SMILES CN1CCN(CCCOc2cc(OC3CCOCC3)c3c(Nc4ccc(F)c(Cl)c4)ncnc3c2)CC1 Show InChI InChI=1S/C27H33ClFN5O3/c1-33-8-10-34(11-9-33)7-2-12-36-21-16-24-26(25(17-21)37-20-5-13-35-14-6-20)27(31-18-30-24)32-19-3-4-23(29)22(28)15-19/h3-4,15-18,20H,2,5-14H2,1H3,(H,30,31,32) | PDB
MMDB
KEGG
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against EGFR |
Bioorg Med Chem Lett 16: 1633-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.028
BindingDB Entry DOI: 10.7270/Q2P84BGH |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293249
(5-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimi...)Show SMILES NC(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)C(N)=O Show InChI InChI=1S/C19H15ClN6O4/c20-12-1-2-13-16(30-8-29-13)15(12)25-14-3-4-23-19(26-14)24-11-6-9(17(21)27)5-10(7-11)18(22)28/h1-7H,8H2,(H2,21,27)(H2,22,28)(H2,23,24,25,26) | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM25226
(2,4-Pyrimidine derivative, 28 | 4-N-(5-chloro-2H-1...)Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1 Show InChI InChI=1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-26-14/h2-9H,10H2,1H3,(H2,20,21,22,23) | PDB
MMDB
Reactome pathway
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MMDB
PDB
Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | 7.4 | 22 |
AstraZeneca
| Assay Description
This assay detects inhibitors of EphB4-mediated phosphorylation of a polypeptide substrate using Alphascreen luminescence detection technology. The r... |
Bioorg Med Chem Lett 18: 2776-80 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.015
BindingDB Entry DOI: 10.7270/Q2C827MH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM25226
(2,4-Pyrimidine derivative, 28 | 4-N-(5-chloro-2H-1...)Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1 Show InChI InChI=1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-26-14/h2-9H,10H2,1H3,(H2,20,21,22,23) | PDB
MMDB
Reactome pathway
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222490
((R)-1-(2-((4-(3-chloro-4-(pyridin-2-ylmethoxy)phen...)Show SMILES OCC(=O)N1CCC[C@@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C27H26ClN5O4/c28-21-13-18(9-10-23(21)36-15-19-5-1-2-11-29-19)32-27-26-22(30-17-31-27)7-3-8-24(26)37-16-20-6-4-12-33(20)25(35)14-34/h1-3,5,7-11,13,17,20,34H,4,6,12,14-16H2,(H,30,31,32)/t20-/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 97 | 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 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189999
(CHEMBL214631 | N-(5-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OC1CCN(C)CC1 Show InChI InChI=1S/C21H22ClFN4O2/c1-27-7-5-14(6-8-27)29-20-10-15-17(11-19(20)28-2)24-12-25-21(15)26-18-9-13(22)3-4-16(18)23/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26) | PDB
MMDB
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| n/a | n/a | 106 | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50293239
(CHEMBL497194 | N2-(3,5-bis(methylsulfonyl)phenyl)-...)Show SMILES CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C19H17ClN4O6S2/c1-31(25,26)12-7-11(8-13(9-12)32(2,27)28)22-19-21-6-5-16(24-19)23-17-14(20)3-4-15-18(17)30-10-29-15/h3-9H,10H2,1-2H3,(H2,21,22,23,24) | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EphB4 |
Bioorg Med Chem Lett 18: 5717-21 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189996
(CHEMBL215559 | N-(5-chloro-2-fluorophenyl)-7-metho...)Show SMILES COCCN1CCC(CC1)Oc1cc2c(Nc3cc(Cl)ccc3F)ncnc2cc1OC Show InChI InChI=1S/C23H26ClFN4O3/c1-30-10-9-29-7-5-16(6-8-29)32-22-12-17-19(13-21(22)31-2)26-14-27-23(17)28-20-11-15(24)3-4-18(20)25/h3-4,11-14,16H,5-10H2,1-2H3,(H,26,27,28) | PDB
MMDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 114 | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222492
((S)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m0/s1 | PDB
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PC cid
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Similars
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PubMed
| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
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