Found 7 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)) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) |
Eur J Med Chem 90: 124-69 (2015)
Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448067
(CHEMBL3115730)Show SMILES COc1ccc(\C=C2/CCCc3c2nc(C)nc3-c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C26H28N2O4/c1-16-27-25-18(13-17-9-11-21(29-2)23(14-17)31-4)7-6-8-20(25)26(28-16)19-10-12-22(30-3)24(15-19)32-5/h9-15H,6-8H2,1-5H3/b18-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of DHFR (unknown origin) |
Eur J Med Chem 90: 124-69 (2015)
Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448066
(CHEMBL3115731)Show SMILES COc1cc(\C=C2/CCCc3c2nc(C)nc3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C28H32N2O6/c1-16-29-25-18(11-17-12-21(31-2)27(35-6)22(13-17)32-3)9-8-10-20(25)26(30-16)19-14-23(33-4)28(36-7)24(15-19)34-5/h11-15H,8-10H2,1-7H3/b18-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of DHFR (unknown origin) |
Eur J Med Chem 90: 124-69 (2015)
Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50062329
(CHEMBL3397276)Show SMILES Clc1cc(Nc2ncnc3ccc(NC4=NC[C@@H](COc5ccccc5)O4)cc23)ccc1OCc1nccs1 |r,t:14| Show InChI InChI=1S/C28H23ClN6O3S/c29-23-13-19(7-9-25(23)37-16-26-30-10-11-39-26)34-27-22-12-18(6-8-24(22)32-17-33-27)35-28-31-14-21(38-28)15-36-20-4-2-1-3-5-20/h1-13,17,21H,14-16H2,(H,31,35)(H,32,33,34)/t21-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) |
Eur J Med Chem 90: 124-69 (2015)
Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50062292
(CHEMBL3397275)Show SMILES Clc1cc(Nc2ncnc3ccc(NC4=NC[C@H](COc5ccccc5)O4)cc23)ccc1OCc1nccs1 |r,t:14| Show InChI InChI=1S/C28H23ClN6O3S/c29-23-13-19(7-9-25(23)37-16-26-30-10-11-39-26)34-27-22-12-18(6-8-24(22)32-17-33-27)35-28-31-14-21(38-28)15-36-20-4-2-1-3-5-20/h1-13,17,21H,14-16H2,(H,31,35)(H,32,33,34)/t21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) |
Eur J Med Chem 90: 124-69 (2015)
Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448061
(CHEMBL1807581)Show SMILES COc1cc(\C=C2/CCCc3c2nc(N)nc3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C27H31N3O6/c1-31-19-11-15(12-20(32-2)25(19)35-5)10-16-8-7-9-18-23(16)29-27(28)30-24(18)17-13-21(33-3)26(36-6)22(14-17)34-4/h10-14H,7-9H2,1-6H3,(H2,28,29,30)/b16-10+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of DHFR (unknown origin) |
Eur J Med Chem 90: 124-69 (2015)
Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50448062
(CHEMBL1807580)Show SMILES COc1ccc(\C=C2/CCCc3c2nc(N)nc3-c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C25H27N3O4/c1-29-19-10-8-15(13-21(19)31-3)12-16-6-5-7-18-23(16)27-25(26)28-24(18)17-9-11-20(30-2)22(14-17)32-4/h8-14H,5-7H2,1-4H3,(H2,26,27,28)/b16-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of DHFR (unknown origin) |
Eur J Med Chem 90: 124-69 (2015)
Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM |
More data for this Ligand-Target Pair | |