Found 53 hits with Last Name = 'serya' and Initial = 'rat' 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 |
|---|
Putative penicillin-binding protein 2B
(Staphylococcus aureus) | BDBM50611988
(CEFTAROLINE | Ceftaroline | T 91825 | T-91825)Show SMILES [H][C@]12SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\c1nsc(N)n1)C([O-])=O |r,c:19| | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611988
(CEFTAROLINE | Ceftaroline | T 91825 | T-91825)Show SMILES [H][C@]12SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\c1nsc(N)n1)C([O-])=O |r,c:19| | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR catalytic domain expressed in insect cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50406868
(BIBW2992 | CHEMBL2347958)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR L858R mutant expressed in mouse Ba/F3 cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB
MMDB
KEGG
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| Purchase
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MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR L858R mutant expressed in mouse Ba/F3 cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50406868
(BIBW2992 | CHEMBL2347958)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m1/s1 | PDB
MMDB
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| Purchase
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR catalytic domain expressed in insect cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468245
(AV-412 | CHEMBL2138625 | MP-412)Show SMILES CN1CCN(CC1)C(C)(C)C#Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32) | PDB
MMDB
KEGG
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| Purchase
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR L858R mutant expressed in mouse Ba/F3 cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468245
(AV-412 | CHEMBL2138625 | MP-412)Show SMILES CN1CCN(CC1)C(C)(C)C#Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| Purchase
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR T790M mutant expressed in mouse Ba/F3 cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611989
(CHEMBL5271107)Show SMILES [H][C@]1([C@@H](C)O)C(=O)N2C(C([O-])=O)=C([C@H](C)[C@]12[H])c1ccc2C(=O)c3cc(C[n+]4ccn(C)c4)ccc3-c2c1 |r,c:11| | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468245
(AV-412 | CHEMBL2138625 | MP-412)Show SMILES CN1CCN(CC1)C(C)(C)C#Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32) | PDB
MMDB
KEGG
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B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR catalytic domain expressed in insect cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468247
(HM 781-36B | HM-781-36B | NOV-120101 | Poziotinib ...)Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR T790M/L858R mutant expressed in mouse Ba/F3 cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468245
(AV-412 | CHEMBL2138625 | MP-412)Show SMILES CN1CCN(CC1)C(C)(C)C#Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32) | PDB
MMDB
KEGG
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antibodypedia
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AffyNet
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR T790M/L858R mutant expressed in mouse Ba/F3 cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468247
(HM 781-36B | HM-781-36B | NOV-120101 | Poziotinib ...)Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29) | PDB
MMDB
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antibodypedia
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR catalytic domain expressed in insect cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468247
(HM 781-36B | HM-781-36B | NOV-120101 | Poziotinib ...)Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29) | PDB
MMDB
KEGG
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antibodypedia
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR T790M mutant expressed in mouse Ba/F3 cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50468247
(HM 781-36B | HM-781-36B | NOV-120101 | Poziotinib ...)Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human HER2 catalytic domain expressed in insect cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM112499
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+ | PDB
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PDB
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Similars
| PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR catalytic domain expressed in insect cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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CHEMBL
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PC cid
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PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468248
(CHEMBL4290869)Show SMILES CC(C)(O)CC(=O)NCCc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H26ClF3N4O3/c1-27(2,38)15-25(37)33-11-10-17-6-8-23-21(12-17)26(35-16-34-23)36-19-7-9-24(22(29)14-19)39-20-5-3-4-18(13-20)28(30,31)32/h3-9,12-14,16,38H,10-11,15H2,1-2H3,(H,33,37)(H,34,35,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50406868
(BIBW2992 | CHEMBL2347958)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m1/s1 | PDB
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Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR T790M/L858R mutant expressed in mouse Ba/F3 cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50406868
(BIBW2992 | CHEMBL2347958)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m1/s1 | PDB
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Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human HER2 catalytic domain expressed in insect cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50468245
(AV-412 | CHEMBL2138625 | MP-412)Show SMILES CN1CCN(CC1)C(C)(C)C#Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32) | PDB
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Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human HER2 catalytic domain expressed in insect cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50468248
(CHEMBL4290869)Show SMILES CC(C)(O)CC(=O)NCCc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H26ClF3N4O3/c1-27(2,38)15-25(37)33-11-10-17-6-8-23-21(12-17)26(35-16-34-23)36-19-7-9-24(22(29)14-19)39-20-5-3-4-18(13-20)28(30,31)32/h3-9,12-14,16,38H,10-11,15H2,1-2H3,(H,33,37)(H,34,35,36) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468496
(CHEMBL4278886)Show SMILES Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C25H16ClF3N4OS/c26-20-11-17(8-9-21(20)34-18-3-1-2-15(10-18)25(27,28)29)33-23-19-12-22(35-24(19)32-13-31-23)14-4-6-16(30)7-5-14/h1-13H,30H2,(H,31,32,33) | PDB
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Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells u... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR T790M/L858R mutant expressed in mouse Ba/F3 cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human HER2 catalytic domain expressed in insect cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468248
(CHEMBL4290869)Show SMILES CC(C)(O)CC(=O)NCCc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H26ClF3N4O3/c1-27(2,38)15-25(37)33-11-10-17-6-8-23-21(12-17)26(35-16-34-23)36-19-7-9-24(22(29)14-19)39-20-5-3-4-18(13-20)28(30,31)32/h3-9,12-14,16,38H,10-11,15H2,1-2H3,(H,33,37)(H,34,35,36) | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM112499
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+ | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human HER2 catalytic domain expressed in insect cells |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells u... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468495
(CHEMBL4280835)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C26H18ClF3N4O3S2/c1-39(35,36)34-17-7-5-15(6-8-17)23-13-20-24(31-14-32-25(20)38-23)33-18-9-10-22(21(27)12-18)37-19-4-2-3-16(11-19)26(28,29)30/h2-14,34H,1H3,(H,31,32,33) | PDB
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Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells u... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468492
(CHEMBL4291471)Show SMILES CC(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C27H18ClF3N4O2S/c1-15(36)34-18-7-5-16(6-8-18)24-13-21-25(32-14-33-26(21)38-24)35-19-9-10-23(22(28)12-19)37-20-4-2-3-17(11-20)27(29,30)31/h2-14H,1H3,(H,34,36)(H,32,33,35) | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells u... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged HER2 (679 to 1255 residues) expressed in baculovirus infected Sf9 cells using Poly-(Glu, Tyr) a... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Putative penicillin-binding protein 2B
(Staphylococcus aureus) | BDBM50611990
(CHEMBL3805841)Show SMILES OC(=O)c1cccc(c1)-n1c(\C=C\c2ccc(cc2)C#N)nc2ccccc2c1=O | PDB
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| | n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468494
(CHEMBL4288374)Show SMILES FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4sc(cc34)-c3ccc(NC(=O)NCCN4CCOCC4)cc3)cc2Cl)c1 Show InChI InChI=1S/C32H28ClF3N6O3S/c33-26-17-23(8-9-27(26)45-24-3-1-2-21(16-24)32(34,35)36)40-29-25-18-28(46-30(25)39-19-38-29)20-4-6-22(7-5-20)41-31(43)37-10-11-42-12-14-44-15-13-42/h1-9,16-19H,10-15H2,(H2,37,41,43)(H,38,39,40) | PDB
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| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells u... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50468246
(CHEMBL4286374)Show SMILES Oc1cc(ccc1C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)C(F)(F)F Show InChI InChI=1S/C22H14BrF3N4O2/c23-13-2-1-3-14(9-13)29-20-17-10-15(5-7-18(17)27-11-28-20)30-21(32)16-6-4-12(8-19(16)31)22(24,25)26/h1-11,31H,(H,30,32)(H,27,28,29) | PDB
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| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468493
(CHEMBL4286733)Show SMILES FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4sc(cc34)-c3ccc(NC(=O)NC4CC4)cc3)cc2Cl)c1 Show InChI InChI=1S/C29H21ClF3N5O2S/c30-23-13-20(10-11-24(23)40-21-3-1-2-17(12-21)29(31,32)33)36-26-22-14-25(41-27(22)35-15-34-26)16-4-6-18(7-5-16)37-28(39)38-19-8-9-19/h1-7,10-15,19H,8-9H2,(H,34,35,36)(H2,37,38,39) | PDB
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| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells u... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468246
(CHEMBL4286374)Show SMILES Oc1cc(ccc1C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)C(F)(F)F Show InChI InChI=1S/C22H14BrF3N4O2/c23-13-2-1-3-14(9-13)29-20-17-10-15(5-7-18(17)27-11-28-20)30-21(32)16-6-4-12(8-19(16)31)22(24,25)26/h1-11,31H,(H,30,32)(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611990
(CHEMBL3805841)Show SMILES OC(=O)c1cccc(c1)-n1c(\C=C\c2ccc(cc2)C#N)nc2ccccc2c1=O | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50468492
(CHEMBL4291471)Show SMILES CC(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C27H18ClF3N4O2S/c1-15(36)34-18-7-5-16(6-8-18)24-13-21-25(32-14-33-26(21)38-24)35-19-9-10-23(22(28)12-19)37-20-4-2-3-17(11-20)27(29,30)31/h2-14H,1H3,(H,34,36)(H,32,33,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 879 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged HER2 (679 to 1255 residues) expressed in baculovirus infected Sf9 cells using Poly-(Glu, Tyr) a... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM246608
(4-{4-[6-(4-(4-Bromophenyl)-3-cyano-2-imino)-1,2-di...)Show SMILES COc1cc2ncnc(Nc3ccc(cc3)-c3cc(-c4ccc(Br)cc4)c(C#N)c(=N)[nH]3)c2cc1OC Show InChI InChI=1S/C28H21BrN6O2/c1-36-25-12-21-24(13-26(25)37-2)32-15-33-28(21)34-19-9-5-17(6-10-19)23-11-20(22(14-30)27(31)35-23)16-3-7-18(29)8-4-16/h3-13,15H,1-2H3,(H2,31,35)(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50468494
(CHEMBL4288374)Show SMILES FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4sc(cc34)-c3ccc(NC(=O)NCCN4CCOCC4)cc3)cc2Cl)c1 Show InChI InChI=1S/C32H28ClF3N6O3S/c33-26-17-23(8-9-27(26)45-24-3-1-2-21(16-24)32(34,35)36)40-29-25-18-28(46-30(25)39-19-38-29)20-4-6-22(7-5-20)41-31(43)37-10-11-42-12-14-44-15-13-42/h1-9,16-19H,10-15H2,(H2,37,41,43)(H,38,39,40) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged HER2 (679 to 1255 residues) expressed in baculovirus infected Sf9 cells using Poly-(Glu, Tyr) a... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50468496
(CHEMBL4278886)Show SMILES Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C25H16ClF3N4OS/c26-20-11-17(8-9-21(20)34-18-3-1-2-15(10-18)25(27,28)29)33-23-19-12-22(35-24(19)32-13-31-23)14-4-6-16(30)7-5-14/h1-13H,30H2,(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged HER2 (679 to 1255 residues) expressed in baculovirus infected Sf9 cells using Poly-(Glu, Tyr) a... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM246608
(4-{4-[6-(4-(4-Bromophenyl)-3-cyano-2-imino)-1,2-di...)Show SMILES COc1cc2ncnc(Nc3ccc(cc3)-c3cc(-c4ccc(Br)cc4)c(C#N)c(=N)[nH]3)c2cc1OC Show InChI InChI=1S/C28H21BrN6O2/c1-36-25-12-21-24(13-26(25)37-2)32-15-33-28(21)34-19-9-5-17(6-10-19)23-11-20(22(14-30)27(31)35-23)16-3-7-18(29)8-4-16/h3-13,15H,1-2H3,(H2,31,35)(H,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) |
Eur J Med Chem 142: 131-151 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.023
BindingDB Entry DOI: 10.7270/Q2JH3PWT |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50468495
(CHEMBL4280835)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C26H18ClF3N4O3S2/c1-39(35,36)34-17-7-5-15(6-8-17)23-13-20-24(31-14-32-25(20)38-23)33-18-9-10-22(21(27)12-18)37-19-4-2-3-16(11-19)26(28,29)30/h2-14,34H,1H3,(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged HER2 (679 to 1255 residues) expressed in baculovirus infected Sf9 cells using Poly-(Glu, Tyr) a... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50468493
(CHEMBL4286733)Show SMILES FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4sc(cc34)-c3ccc(NC(=O)NC4CC4)cc3)cc2Cl)c1 Show InChI InChI=1S/C29H21ClF3N5O2S/c30-23-13-20(10-11-24(23)40-21-3-1-2-17(12-21)29(31,32)33)36-26-22-14-25(41-27(22)35-15-34-26)16-4-6-18(7-5-16)37-28(39)38-19-8-9-19/h1-7,10-15,19H,8-9H2,(H,34,35,36)(H2,37,38,39) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ain Shams University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged HER2 (679 to 1255 residues) expressed in baculovirus infected Sf9 cells using Poly-(Glu, Tyr) a... |
Eur J Med Chem 155: 316-336 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.011
BindingDB Entry DOI: 10.7270/Q2K93B6Z |
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611991
(CHEMBL5290603)Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccccc1C(O)=O | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 9.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611992
(CHEMBL5272296)Show SMILES CCCOc1ccc2cc(ccc2c1)C(=O)Nc1ccc(Br)cc1C(O)=O | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611993
(CHEMBL5284661) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50611991
(CHEMBL5290603)Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccccc1C(O)=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.91E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611994
(CHEMBL5283888) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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