Found 14 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493345
(CHEMBL2425086)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCC2(COC2)C1 Show InChI InChI=1S/C24H26ClFN4O3/c1-31-21-11-20-17(23(28-15-27-20)29-16-3-4-19(26)18(25)9-16)10-22(21)33-8-2-6-30-7-5-24(12-30)13-32-14-24/h3-4,9-11,15H,2,5-8,12-14H2,1H3,(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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493340
(CHEMBL2425087)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(COC2)C1 Show InChI InChI=1S/C22H22ClFN4O3/c1-29-19-8-18-15(7-20(19)31-5-4-28-9-22(10-28)11-30-12-22)21(26-13-25-18)27-14-2-3-17(24)16(23)6-14/h2-3,6-8,13H,4-5,9-12H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493346
(CHEMBL2425083)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2(C1)CS(=O)(=O)C2 Show InChI InChI=1S/C23H24ClFN4O4S/c1-32-20-9-19-16(22(27-14-26-19)28-15-3-4-18(25)17(24)7-15)8-21(20)33-6-2-5-29-10-23(11-29)12-34(30,31)13-23/h3-4,7-9,14H,2,5-6,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493339
(CHEMBL2425084)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC(O)C1 Show InChI InChI=1S/C21H22ClFN4O3/c1-29-19-9-18-15(8-20(19)30-6-2-5-27-10-14(28)11-27)21(25-12-24-18)26-13-3-4-17(23)16(22)7-13/h3-4,7-9,12,14,28H,2,5-6,10-11H2,1H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493343
(CHEMBL2425090)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(O)C1 Show InChI InChI=1S/C20H20ClFN4O3/c1-28-18-8-17-14(7-19(18)29-5-4-26-9-13(27)10-26)20(24-11-23-17)25-12-2-3-16(22)15(21)6-12/h2-3,6-8,11,13,27H,4-5,9-10H2,1H3,(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493344
(CHEMBL2425085)Show SMILES COC1CN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-15-11-28(12-15)6-3-7-31-21-9-16-19(10-20(21)30-2)25-13-26-22(16)27-14-4-5-18(24)17(23)8-14/h4-5,8-10,13,15H,3,6-7,11-12H2,1-2H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493338
(CHEMBL2425093)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2(CCO2)C1 Show InChI InChI=1S/C23H24ClFN4O3/c1-30-20-11-19-16(22(27-14-26-19)28-15-3-4-18(25)17(24)9-15)10-21(20)31-7-2-6-29-12-23(13-29)5-8-32-23/h3-4,9-11,14H,2,5-8,12-13H2,1H3,(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493337
(CHEMBL2425094)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2(CSC2)C1 Show InChI InChI=1S/C23H24ClFN4O2S/c1-30-20-9-19-16(22(27-14-26-19)28-15-3-4-18(25)17(24)7-15)8-21(20)31-6-2-5-29-10-23(11-29)12-32-13-23/h3-4,7-9,14H,2,5-6,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493342
(CHEMBL2425089)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CSC2)C1 Show InChI InChI=1S/C22H22ClFN4O2S/c1-29-19-8-18-15(7-20(19)30-5-4-28-9-22(10-28)11-31-12-22)21(26-13-25-18)27-14-2-3-17(24)16(23)6-14/h2-3,6-8,13H,4-5,9-12H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493336
(CHEMBL2425092)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2(COC2)C1 Show InChI InChI=1S/C23H24ClFN4O3/c1-30-20-9-19-16(22(27-14-26-19)28-15-3-4-18(25)17(24)7-15)8-21(20)32-6-2-5-29-10-23(11-29)12-31-13-23/h3-4,7-9,14H,2,5-6,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493335
(CHEMBL2425091)Show SMILES COC1CN(CCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1 Show InChI InChI=1S/C21H22ClFN4O3/c1-28-14-10-27(11-14)5-6-30-20-8-15-18(9-19(20)29-2)24-12-25-21(15)26-13-3-4-17(23)16(22)7-13/h3-4,7-9,12,14H,5-6,10-11H2,1-2H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493334
(CHEMBL2424664)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(C1)CS(=O)(=O)C2 Show InChI InChI=1S/C22H22ClFN4O4S/c1-31-19-8-18-15(21(26-13-25-18)27-14-2-3-17(24)16(23)6-14)7-20(19)32-5-4-28-9-22(10-28)11-33(29,30)12-22/h2-3,6-8,13H,4-5,9-12H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50493341
(CHEMBL2425088)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CCO2)C1 Show InChI InChI=1S/C22H22ClFN4O3/c1-29-19-10-18-15(9-20(19)30-7-5-28-11-22(12-28)4-6-31-22)21(26-13-25-18)27-14-2-3-17(24)16(23)8-14/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 5385-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.07.049
BindingDB Entry DOI: 10.7270/Q2SF3045 |
More data for this
Ligand-Target Pair | |
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