Found 36 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)) | 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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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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
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 DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360125
(CHEMBL1928947)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)C=C)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C26H20ClFN4O3/c1-2-25(33)32-19-7-4-8-21(12-19)35-26-14-24(29-16-30-26)31-20-9-10-23(22(27)13-20)34-15-17-5-3-6-18(28)11-17/h2-14,16H,1,15H2,(H,32,33)(H,29,30,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360125
(CHEMBL1928947)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)C=C)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C26H20ClFN4O3/c1-2-25(33)32-19-7-4-8-21(12-19)35-26-14-24(29-16-30-26)31-20-9-10-23(22(27)13-20)34-15-17-5-3-6-18(28)11-17/h2-14,16H,1,15H2,(H,32,33)(H,29,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360128
(CHEMBL1928950)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)CC#N)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C26H19ClFN5O3/c27-22-13-20(7-8-23(22)35-15-17-3-1-4-18(28)11-17)32-24-14-26(31-16-30-24)36-21-6-2-5-19(12-21)33-25(34)9-10-29/h1-8,11-14,16H,9,15H2,(H,33,34)(H,30,31,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360130
(CHEMBL1928952)Show SMILES Nc1cc(Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)ncn1 Show InChI InChI=1S/C27H21ClFN7O2/c28-22-11-20(7-8-23(22)37-14-17-3-1-4-18(29)9-17)36-26-13-27(34-16-33-26)38-21-6-2-5-19(10-21)35-25-12-24(30)31-15-32-25/h1-13,15-16H,14H2,(H,33,34,36)(H3,30,31,32,35) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360128
(CHEMBL1928950)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)CC#N)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C26H19ClFN5O3/c27-22-13-20(7-8-23(22)35-15-17-3-1-4-18(28)11-17)32-24-14-26(31-16-30-24)36-21-6-2-5-19(12-21)33-25(34)9-10-29/h1-8,11-14,16H,9,15H2,(H,33,34)(H,30,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360130
(CHEMBL1928952)Show SMILES Nc1cc(Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)ncn1 Show InChI InChI=1S/C27H21ClFN7O2/c28-22-11-20(7-8-23(22)37-14-17-3-1-4-18(29)9-17)36-26-13-27(34-16-33-26)38-21-6-2-5-19(10-21)35-25-12-24(30)31-15-32-25/h1-13,15-16H,14H2,(H,33,34,36)(H3,30,31,32,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360133
(CHEMBL1928955)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)COc5ccccc5)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C31H24ClFN4O4/c32-27-16-24(12-13-28(27)40-18-21-6-4-7-22(33)14-21)36-29-17-31(35-20-34-29)41-26-11-5-8-23(15-26)37-30(38)19-39-25-9-2-1-3-10-25/h1-17,20H,18-19H2,(H,37,38)(H,34,35,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360133
(CHEMBL1928955)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)COc5ccccc5)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C31H24ClFN4O4/c32-27-16-24(12-13-28(27)40-18-21-6-4-7-22(33)14-21)36-29-17-31(35-20-34-29)41-26-11-5-8-23(15-26)37-30(38)19-39-25-9-2-1-3-10-25/h1-17,20H,18-19H2,(H,37,38)(H,34,35,36) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360124
(CHEMBL1928946)Show SMILES CC(=O)Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C25H20ClFN4O3/c1-16(32)30-19-6-3-7-21(11-19)34-25-13-24(28-15-29-25)31-20-8-9-23(22(26)12-20)33-14-17-4-2-5-18(27)10-17/h2-13,15H,14H2,1H3,(H,30,32)(H,28,29,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360126
(CHEMBL1928948)Show SMILES CCOC(=O)\C=C\C(=O)Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C29H24ClFN4O5/c1-2-38-29(37)12-11-27(36)35-21-7-4-8-23(14-21)40-28-16-26(32-18-33-28)34-22-9-10-25(24(30)15-22)39-17-19-5-3-6-20(31)13-19/h3-16,18H,2,17H2,1H3,(H,35,36)(H,32,33,34)/b12-11+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360124
(CHEMBL1928946)Show SMILES CC(=O)Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C25H20ClFN4O3/c1-16(32)30-19-6-3-7-21(11-19)34-25-13-24(28-15-29-25)31-20-8-9-23(22(26)12-20)33-14-17-4-2-5-18(27)10-17/h2-13,15H,14H2,1H3,(H,30,32)(H,28,29,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360126
(CHEMBL1928948)Show SMILES CCOC(=O)\C=C\C(=O)Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C29H24ClFN4O5/c1-2-38-29(37)12-11-27(36)35-21-7-4-8-23(14-21)40-28-16-26(32-18-33-28)34-22-9-10-25(24(30)15-22)39-17-19-5-3-6-20(31)13-19/h3-16,18H,2,17H2,1H3,(H,35,36)(H,32,33,34)/b12-11+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360127
(CHEMBL1928949)Show SMILES CCOC(=O)CNc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C27H24ClFN4O4/c1-2-35-27(34)15-30-20-7-4-8-22(12-20)37-26-14-25(31-17-32-26)33-21-9-10-24(23(28)13-21)36-16-18-5-3-6-19(29)11-18/h3-14,17,30H,2,15-16H2,1H3,(H,31,32,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360127
(CHEMBL1928949)Show SMILES CCOC(=O)CNc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C27H24ClFN4O4/c1-2-35-27(34)15-30-20-7-4-8-22(12-20)37-26-14-25(31-17-32-26)33-21-9-10-24(23(28)13-21)36-16-18-5-3-6-19(29)11-18/h3-14,17,30H,2,15-16H2,1H3,(H,31,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360123
(CHEMBL1928945)Show SMILES Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C23H18ClFN4O2/c24-20-11-18(7-8-21(20)30-13-15-3-1-4-16(25)9-15)29-22-12-23(28-14-27-22)31-19-6-2-5-17(26)10-19/h1-12,14H,13,26H2,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 473 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360136
(CHEMBL1928958)Show SMILES COc1ccc(\C=C\C(=O)Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)cc1OC Show InChI InChI=1S/C34H28ClFN4O5/c1-42-30-12-9-22(16-31(30)43-2)10-14-33(41)40-25-7-4-8-27(17-25)45-34-19-32(37-21-38-34)39-26-11-13-29(28(35)18-26)44-20-23-5-3-6-24(36)15-23/h3-19,21H,20H2,1-2H3,(H,40,41)(H,37,38,39)/b14-10+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 523 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360123
(CHEMBL1928945)Show SMILES Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C23H18ClFN4O2/c24-20-11-18(7-8-21(20)30-13-15-3-1-4-16(25)9-15)29-22-12-23(28-14-27-22)31-19-6-2-5-17(26)10-19/h1-12,14H,13,26H2,(H,27,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 559 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360134
(CHEMBL1928956)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)Cc5cc(F)c(F)cc5F)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C31H21ClF4N4O3/c32-24-13-22(7-8-28(24)42-16-18-3-1-4-20(33)9-18)39-29-15-31(38-17-37-29)43-23-6-2-5-21(12-23)40-30(41)11-19-10-26(35)27(36)14-25(19)34/h1-10,12-15,17H,11,16H2,(H,40,41)(H,37,38,39) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 627 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360137
(CHEMBL1928959)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)COc5cc(F)c(F)c(F)c5)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C31H21ClF4N4O4/c32-24-11-21(7-8-27(24)43-15-18-3-1-4-19(33)9-18)39-28-14-30(38-17-37-28)44-22-6-2-5-20(10-22)40-29(41)16-42-23-12-25(34)31(36)26(35)13-23/h1-14,17H,15-16H2,(H,40,41)(H,37,38,39) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 721 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360135
(CHEMBL1928957)Show SMILES Fc1ccc(\C=C\C(=O)Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)cc1 Show InChI InChI=1S/C32H23ClF2N4O3/c33-28-17-26(12-13-29(28)41-19-22-3-1-4-24(35)15-22)38-30-18-32(37-20-36-30)42-27-6-2-5-25(16-27)39-31(40)14-9-21-7-10-23(34)11-8-21/h1-18,20H,19H2,(H,39,40)(H,36,37,38)/b14-9+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 821 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360134
(CHEMBL1928956)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)Cc5cc(F)c(F)cc5F)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C31H21ClF4N4O3/c32-24-13-22(7-8-28(24)42-16-18-3-1-4-20(33)9-18)39-29-15-31(38-17-37-29)43-23-6-2-5-21(12-23)40-30(41)11-19-10-26(35)27(36)14-25(19)34/h1-10,12-15,17H,11,16H2,(H,40,41)(H,37,38,39) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 834 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360139
(CHEMBL1928944)Show SMILES [O-][N+](=O)c1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C23H16ClFN4O4/c24-20-10-17(7-8-21(20)32-13-15-3-1-4-16(25)9-15)28-22-12-23(27-14-26-22)33-19-6-2-5-18(11-19)29(30)31/h1-12,14H,13H2,(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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360136
(CHEMBL1928958)Show SMILES COc1ccc(\C=C\C(=O)Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)cc1OC Show InChI InChI=1S/C34H28ClFN4O5/c1-42-30-12-9-22(16-31(30)43-2)10-14-33(41)40-25-7-4-8-27(17-25)45-34-19-32(37-21-38-34)39-26-11-13-29(28(35)18-26)44-20-23-5-3-6-24(36)15-23/h3-19,21H,20H2,1-2H3,(H,40,41)(H,37,38,39)/b14-10+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360135
(CHEMBL1928957)Show SMILES Fc1ccc(\C=C\C(=O)Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)cc1 Show InChI InChI=1S/C32H23ClF2N4O3/c33-28-17-26(12-13-29(28)41-19-22-3-1-4-24(35)15-22)38-30-18-32(37-20-36-30)42-27-6-2-5-25(16-27)39-31(40)14-9-21-7-10-23(34)11-8-21/h1-18,20H,19H2,(H,39,40)(H,36,37,38)/b14-9+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360132
(CHEMBL1928954)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)\C=C\c5ccccc5)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C32H24ClFN4O3/c33-28-18-26(13-14-29(28)40-20-23-8-4-9-24(34)16-23)37-30-19-32(36-21-35-30)41-27-11-5-10-25(17-27)38-31(39)15-12-22-6-2-1-3-7-22/h1-19,21H,20H2,(H,38,39)(H,35,36,37)/b15-12+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360137
(CHEMBL1928959)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)COc5cc(F)c(F)c(F)c5)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C31H21ClF4N4O4/c32-24-11-21(7-8-27(24)43-15-18-3-1-4-19(33)9-18)39-28-14-30(38-17-37-28)44-22-6-2-5-20(10-22)40-29(41)16-42-23-12-25(34)31(36)26(35)13-23/h1-14,17H,15-16H2,(H,40,41)(H,37,38,39) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360139
(CHEMBL1928944)Show SMILES [O-][N+](=O)c1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C23H16ClFN4O4/c24-20-10-17(7-8-21(20)32-13-15-3-1-4-16(25)9-15)28-22-12-23(27-14-26-22)33-19-6-2-5-18(11-19)29(30)31/h1-12,14H,13H2,(H,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360132
(CHEMBL1928954)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)\C=C\c5ccccc5)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C32H24ClFN4O3/c33-28-18-26(13-14-29(28)40-20-23-8-4-9-24(34)16-23)37-30-19-32(36-21-35-30)41-27-11-5-10-25(17-27)38-31(39)15-12-22-6-2-1-3-7-22/h1-19,21H,20H2,(H,38,39)(H,35,36,37)/b15-12+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360131
(CHEMBL1928953)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NCc5ccccc5)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C30H24ClFN4O2/c31-27-16-25(12-13-28(27)37-19-22-8-4-9-23(32)14-22)36-29-17-30(35-20-34-29)38-26-11-5-10-24(15-26)33-18-21-6-2-1-3-7-21/h1-17,20,33H,18-19H2,(H,34,35,36) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360129
(CHEMBL1928951)Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C30H21ClFN5O5/c31-26-15-23(9-12-27(26)41-17-19-3-1-4-21(32)13-19)35-28-16-29(34-18-33-28)42-25-6-2-5-22(14-25)36-30(38)20-7-10-24(11-8-20)37(39)40/h1-16,18H,17H2,(H,36,38)(H,33,34,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360138
(CHEMBL1928960)Show SMILES COc1ccc(OCC(=O)Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)cc1OC Show InChI InChI=1S/C33H28ClFN4O6/c1-41-29-12-10-25(16-30(29)42-2)43-19-32(40)39-23-7-4-8-26(14-23)45-33-17-31(36-20-37-33)38-24-9-11-28(27(34)15-24)44-18-21-5-3-6-22(35)13-21/h3-17,20H,18-19H2,1-2H3,(H,39,40)(H,36,37,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360129
(CHEMBL1928951)Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 Show InChI InChI=1S/C30H21ClFN5O5/c31-26-15-23(9-12-27(26)41-17-19-3-1-4-21(32)13-19)35-28-16-29(34-18-33-28)42-25-6-2-5-22(14-25)36-30(38)20-7-10-24(11-8-20)37(39)40/h1-16,18H,17H2,(H,36,38)(H,33,34,35) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360131
(CHEMBL1928953)Show SMILES Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NCc5ccccc5)c4)ncn3)cc2Cl)c1 Show InChI InChI=1S/C30H24ClFN4O2/c31-27-16-25(12-13-28(27)37-19-22-8-4-9-23(32)14-22)36-29-17-30(35-20-34-29)38-26-11-5-10-24(15-26)33-18-21-6-2-1-3-7-21/h1-17,20,33H,18-19H2,(H,34,35,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360138
(CHEMBL1928960)Show SMILES COc1ccc(OCC(=O)Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)cc1OC Show InChI InChI=1S/C33H28ClFN4O6/c1-41-29-12-10-25(16-30(29)42-2)43-19-32(40)39-23-7-4-8-26(14-23)45-33-17-31(36-20-37-33)38-24-9-11-28(27(34)15-24)44-18-21-5-3-6-22(35)13-21/h3-17,20H,18-19H2,1-2H3,(H,39,40)(H,36,37,38) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay |
Bioorg Med Chem 20: 877-85 (2012)
Article DOI: 10.1016/j.bmc.2011.11.056 BindingDB Entry DOI: 10.7270/Q2N29XCQ |
More data for this Ligand-Target Pair | |