Found 61 hits with Last Name = 'ahmed' and Initial = 'ns' 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)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| US Patent
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM581371
(US11505527, Compound 4j)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1C(C(=O)c2ccccc2)=C(N)NC2=C1C(=O)CC(C)(C)C2 |c:32,t:28| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM581371
(US11505527, Compound 4j)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1C(C(=O)c2ccccc2)=C(N)NC2=C1C(=O)CC(C)(C)C2 |c:32,t:28| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM581370
(US11505527, Compound 4b)Show SMILES CCOC(=O)C1=C(NC2=C(C1c1ccc(cc1)S(=O)(=O)c1ccccc1)C(=O)CC(C)(C)C2)C(F)(F)F |c:8,t:5| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank US Patent
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB US Patent
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM581371
(US11505527, Compound 4j)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1C(C(=O)c2ccccc2)=C(N)NC2=C1C(=O)CC(C)(C)C2 |c:32,t:28| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154294
(CHEMBL3774647)Show SMILES C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1 Show InChI InChI=1S/C28H31NO2/c1-22(23-8-4-2-5-9-23)28(24-10-14-26(30)15-11-24)25-12-16-27(17-13-25)31-21-20-29-18-6-3-7-19-29/h2,4-5,8-17,30H,3,6-7,18-21H2,1H3/b28-22+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM581370
(US11505527, Compound 4b)Show SMILES CCOC(=O)C1=C(NC2=C(C1c1ccc(cc1)S(=O)(=O)c1ccccc1)C(=O)CC(C)(C)C2)C(F)(F)F |c:8,t:5| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM20608
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| US Patent
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM581371
(US11505527, Compound 4j)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1C(C(=O)c2ccccc2)=C(N)NC2=C1C(=O)CC(C)(C)C2 |c:32,t:28| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM581370
(US11505527, Compound 4b)Show SMILES CCOC(=O)C1=C(NC2=C(C1c1ccc(cc1)S(=O)(=O)c1ccccc1)C(=O)CC(C)(C)C2)C(F)(F)F |c:8,t:5| | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50428286
(DABRAFENIB | GSK2118436A)Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRAF V600E mutant (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154340
(CHEMBL3775016)Show SMILES C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 Show InChI InChI=1S/C27H29NO2/c1-21(22-7-3-2-4-8-22)27(23-9-13-25(29)14-10-23)24-11-15-26(16-12-24)30-20-19-28-17-5-6-18-28/h2-4,7-16,29H,5-6,17-20H2,1H3/b27-21+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of c-kit (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | 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 Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Src (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABL (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154339
(CHEMBL3774660)Show SMILES CN(C)CCOc1ccc(cc1)C(=C(/C)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C25H27NO2/c1-19(20-7-5-4-6-8-20)25(21-9-13-23(27)14-10-21)22-11-15-24(16-12-22)28-18-17-26(2)3/h4-16,27H,17-18H2,1-3H3/b25-19+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM581370
(US11505527, Compound 4b)Show SMILES CCOC(=O)C1=C(NC2=C(C1c1ccc(cc1)S(=O)(=O)c1ccccc1)C(=O)CC(C)(C)C2)C(F)(F)F |c:8,t:5| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four dif... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q25B06BK |
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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154315
(CHEMBL3775434)Show SMILES CC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C29H31NO3/c1-22(24-8-4-3-5-9-24)29(26-12-16-28(17-13-26)33-23(2)31)25-10-14-27(15-11-25)32-21-20-30-18-6-7-19-30/h3-5,8-17H,6-7,18-21H2,1-2H3/b29-22- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM20607
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- | PDB
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| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)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-/m0/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 MMDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154310
(CHEMBL3775283)Show SMILES CC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H33NO3/c1-23(25-9-5-3-6-10-25)30(27-13-17-29(18-14-27)34-24(2)32)26-11-15-28(16-12-26)33-22-21-31-19-7-4-8-20-31/h3,5-6,9-18H,4,7-8,19-22H2,1-2H3/b30-23- | PDB
UniProtKB/SwissProt
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 |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029668
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1/2
(Homo sapiens (Human)) | BDBM50355497
(AZD-6244 | CHEMBL1614701)Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of MEK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154312
(CHEMBL3775129)Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OC(C)=O)cc1 Show InChI InChI=1S/C27H29NO3/c1-20(22-8-6-5-7-9-22)27(24-12-16-26(17-13-24)31-21(2)29)23-10-14-25(15-11-23)30-19-18-28(3)4/h5-17H,18-19H2,1-4H3/b27-20+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154316
(CHEMBL3775224)Show SMILES CCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H35NO3/c1-3-9-30(33)35-29-18-14-27(15-19-29)31(24(2)25-10-5-4-6-11-25)26-12-16-28(17-13-26)34-23-22-32-20-7-8-21-32/h4-6,10-19H,3,7-9,20-23H2,1-2H3/b31-24- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154314
(CHEMBL3775410)Show SMILES CCCCCCCCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C35H45NO3/c1-5-6-7-8-9-10-14-17-34(37)39-33-24-20-31(21-25-33)35(28(2)29-15-12-11-13-16-29)30-18-22-32(23-19-30)38-27-26-36(3)4/h11-13,15-16,18-25H,5-10,14,17,26-27H2,1-4H3/b35-28- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154311
(CHEMBL3775375)Show SMILES CCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C32H37NO3/c1-3-10-31(34)36-30-19-15-28(16-20-30)32(25(2)26-11-6-4-7-12-26)27-13-17-29(18-14-27)35-24-23-33-21-8-5-9-22-33/h4,6-7,11-20H,3,5,8-10,21-24H2,1-2H3/b32-25- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154313
(CHEMBL3775006)Show SMILES CCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C29H33NO3/c1-5-9-28(31)33-27-18-14-25(15-19-27)29(22(2)23-10-7-6-8-11-23)24-12-16-26(17-13-24)32-21-20-30(3)4/h6-8,10-19H,5,9,20-21H2,1-4H3/b29-22- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
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
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50154340
(CHEMBL3775016)Show SMILES C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 Show InChI InChI=1S/C27H29NO2/c1-21(22-7-3-2-4-8-22)27(23-9-13-25(29)14-10-23)24-11-15-26(16-12-24)30-20-19-28-17-5-6-18-28/h2-4,7-16,29H,5-6,17-20H2,1H3/b27-21+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-beta incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154338
(CHEMBL3775978)Show SMILES CCCCCCCCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C37H47NO3/c1-3-4-5-6-7-8-12-17-36(39)41-35-24-20-33(21-25-35)37(30(2)31-15-10-9-11-16-31)32-18-22-34(23-19-32)40-29-28-38-26-13-14-27-38/h9-11,15-16,18-25H,3-8,12-14,17,26-29H2,1-2H3/b37-30- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50561030
(CHEMBL4750734)Show SMILES Cn1c(nc2ccccc12)-c1csc(N\N=C/c2ccc(o2)[N+]([O-])=O)n1 | PDB MMDB
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) using ATF-2 as substrate after 1 hr by radiometric based ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50154307
(CHEMBL3774642)Show SMILES CCCCCCCCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C38H49NO3/c1-3-4-5-6-7-8-13-18-37(40)42-36-25-21-34(22-26-36)38(31(2)32-16-11-9-12-17-32)33-19-23-35(24-20-33)41-30-29-39-27-14-10-15-28-39/h9,11-12,16-17,19-26H,3-8,10,13-15,18,27-30H2,1-2H3/b38-31- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50561024
(CHEMBL4753631)Show SMILES Cn1c(nc2ccccc12)-c1csc(N\N=C/c2ccc(cc2)[N+]([O-])=O)n1 | PDB MMDB
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) using ATF-2 as substrate after 1 hr by radiometric based ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM20608
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- | PDB
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Similars
| PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-beta incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50561025
(CHEMBL4786168)Show SMILES CN(C)c1ccc(\C=N/Nc2nc(cs2)-c2nc3ccccc3n2C)cc1 | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) using ATF-2 as substrate after 1 hr by radiometric based ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50561017
(CHEMBL4780058)Show SMILES [#6]-n1c(nc2ccccc12)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)n1 | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) using ATF-2 as substrate after 1 hr by radiometric based ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50561020
(CHEMBL4783948) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) using ATF-2 as substrate after 1 hr by radiometric based ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | 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 | 153 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) using ATF-2 as substrate after 1 hr by radiometric based ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM20607
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-beta incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50561022
(CHEMBL4740646)Show SMILES COc1ccc(\C=N/Nc2nc(cs2)-c2nc3ccccc3n2C)cc1OC | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 208 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) using ATF-2 as substrate after 1 hr by radiometric based ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50561029
(CHEMBL4746023) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) using ATF-2 as substrate after 1 hr by radiometric based ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50561026
(CHEMBL4752843)Show SMILES Cn1c(nc2ccccc12)-c1csc(N\N=C/c2ccc(F)cc2)n1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR (unknown origin) using ATF-2 as substrate after 1 hr by radiometric based ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115657 BindingDB Entry DOI: 10.7270/Q21J9FHZ |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50154315
(CHEMBL3775434)Show SMILES CC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C29H31NO3/c1-22(24-8-4-3-5-9-24)29(26-12-16-28(17-13-26)33-23(2)31)25-10-14-27(15-11-25)32-21-20-30-18-6-7-19-30/h3-5,8-17H,6-7,18-21H2,1-2H3/b29-22- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Displacement of [3H]-E2 from human ER-beta incubated for 16 to 20 hrs by liquid scintillation counting analysis |
Eur J Med Chem 112: 171-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.026 BindingDB Entry DOI: 10.7270/Q2M61N49 |
More data for this Ligand-Target Pair | |